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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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-2debb2f6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/linc-2debb2f6/inputs/seq.fa: 1 curr_seq: _UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGACACUGCCCAAUCGCCUUGGAAGCCCCCUAGACCAUCACGGAUGCCGAGCUUCGAGUAACUCUCACAGUGGAGGGAACGCGCAUGAAAAAACCAAACAA 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 101 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: 510 n_atoms_counter: 510 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 101.000000 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: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 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: 1 Temperature: 1.200000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -407.796360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.796360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.796360 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.000 local terms energy: -393.336417 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -44.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -502.458699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.458699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.458699 (E_RNA) where: Base-Base interactions energy: -228.553 where: short stacking energy: -218.133 Base-Backbone interact. energy: -0.397 local terms energy: -273.508496 where: bonds (distance) C4'-P energy: -55.378 bonds (distance) P-C4' energy: -53.594 flat angles C4'-P-C4' energy: -71.421 flat angles P-C4'-P energy: -41.619 tors. eta vs tors. theta energy: -51.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -534.277872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.277872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.277872 (E_RNA) where: Base-Base interactions energy: -228.967 where: short stacking energy: -209.412 Base-Backbone interact. energy: 0.248 local terms energy: -305.559549 where: bonds (distance) C4'-P energy: -73.056 bonds (distance) P-C4' energy: -71.555 flat angles C4'-P-C4' energy: -69.547 flat angles P-C4'-P energy: -40.343 tors. eta vs tors. theta energy: -51.059 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: 2 Temperature: 1.000000 Total energy: -488.404105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.404105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.404105 (E_RNA) where: Base-Base interactions energy: -205.825 where: short stacking energy: -187.641 Base-Backbone interact. energy: -0.231 local terms energy: -282.348282 where: bonds (distance) C4'-P energy: -65.669 bonds (distance) P-C4' energy: -69.140 flat angles C4'-P-C4' energy: -69.881 flat angles P-C4'-P energy: -37.714 tors. eta vs tors. theta energy: -39.945 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -426.501495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.501495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.501495 (E_RNA) where: Base-Base interactions energy: -181.031 where: short stacking energy: -181.031 Base-Backbone interact. energy: 3.213 local terms energy: -248.683375 where: bonds (distance) C4'-P energy: -66.234 bonds (distance) P-C4' energy: -66.887 flat angles C4'-P-C4' energy: -43.086 flat angles P-C4'-P energy: -28.414 tors. eta vs tors. theta energy: -44.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -429.055147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.055147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.055147 (E_RNA) where: Base-Base interactions energy: -191.137 where: short stacking energy: -135.751 Base-Backbone interact. energy: -0.640 local terms energy: -237.277464 where: bonds (distance) C4'-P energy: -61.963 bonds (distance) P-C4' energy: -59.567 flat angles C4'-P-C4' energy: -61.858 flat angles P-C4'-P energy: -29.817 tors. eta vs tors. theta energy: -24.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -415.162892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.162892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.162892 (E_RNA) where: Base-Base interactions energy: -30.872 where: short stacking energy: -30.872 Base-Backbone interact. energy: -0.000 local terms energy: -384.290513 where: bonds (distance) C4'-P energy: -94.428 bonds (distance) P-C4' energy: -87.792 flat angles C4'-P-C4' energy: -72.620 flat angles P-C4'-P energy: -83.717 tors. eta vs tors. theta energy: -45.733 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -416.638229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.638229 (E_RNA) where: Base-Base interactions energy: -32.008 where: short stacking energy: -32.008 Base-Backbone interact. energy: -0.000 local terms energy: -384.629977 where: bonds (distance) C4'-P energy: -93.795 bonds (distance) P-C4' energy: -89.124 flat angles C4'-P-C4' energy: -72.161 flat angles P-C4'-P energy: -83.983 tors. eta vs tors. theta energy: -45.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -417.880008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.880008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.880008 (E_RNA) where: Base-Base interactions energy: -44.323 where: short stacking energy: -44.323 Base-Backbone interact. energy: -0.000 local terms energy: -373.557202 where: bonds (distance) C4'-P energy: -86.344 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -72.112 flat angles P-C4'-P energy: -82.178 tors. eta vs tors. theta energy: -46.174 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -416.744034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.744034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.744034 (E_RNA) where: Base-Base interactions energy: -32.473 where: short stacking energy: -32.473 Base-Backbone interact. energy: -0.000 local terms energy: -384.270783 where: bonds (distance) C4'-P energy: -93.178 bonds (distance) P-C4' energy: -90.068 flat angles C4'-P-C4' energy: -71.740 flat angles P-C4'-P energy: -83.893 tors. eta vs tors. theta energy: -45.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -412.383748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.383748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.383748 (E_RNA) where: Base-Base interactions energy: -30.831 where: short stacking energy: -30.831 Base-Backbone interact. energy: -0.000 local terms energy: -381.552609 where: bonds (distance) C4'-P energy: -91.286 bonds (distance) P-C4' energy: -87.068 flat angles C4'-P-C4' energy: -73.394 flat angles P-C4'-P energy: -84.006 tors. eta vs tors. theta energy: -45.799 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -600.821289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.821289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.821289 (E_RNA) where: Base-Base interactions energy: -281.125 where: short stacking energy: -248.007 Base-Backbone interact. energy: -0.993 local terms energy: -318.702798 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -69.374 flat angles C4'-P-C4' energy: -70.563 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -69.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -619.776260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.776260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.776260 (E_RNA) where: Base-Base interactions energy: -348.245 where: short stacking energy: -199.215 Base-Backbone interact. energy: -0.660 local terms energy: -270.871944 where: bonds (distance) C4'-P energy: -62.496 bonds (distance) P-C4' energy: -66.769 flat angles C4'-P-C4' energy: -59.871 flat angles P-C4'-P energy: -38.399 tors. eta vs tors. theta energy: -43.337 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -482.775697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.775697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.775697 (E_RNA) where: Base-Base interactions energy: -228.215 where: short stacking energy: -188.118 Base-Backbone interact. energy: -1.095 local terms energy: -253.465816 where: bonds (distance) C4'-P energy: -57.800 bonds (distance) P-C4' energy: -56.041 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -41.589 tors. eta vs tors. theta energy: -35.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -456.545110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.545110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.545110 (E_RNA) where: Base-Base interactions energy: -200.323 where: short stacking energy: -174.795 Base-Backbone interact. energy: 0.680 local terms energy: -256.902024 where: bonds (distance) C4'-P energy: -58.977 bonds (distance) P-C4' energy: -65.913 flat angles C4'-P-C4' energy: -60.255 flat angles P-C4'-P energy: -39.668 tors. eta vs tors. theta energy: -32.090 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -474.101037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.101037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.101037 (E_RNA) where: Base-Base interactions energy: -234.219 where: short stacking energy: -161.233 Base-Backbone interact. energy: 3.541 local terms energy: -243.423389 where: bonds (distance) C4'-P energy: -50.027 bonds (distance) P-C4' energy: -62.154 flat angles C4'-P-C4' energy: -63.996 flat angles P-C4'-P energy: -35.551 tors. eta vs tors. theta energy: -31.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -426.064595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.064595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.064595 (E_RNA) where: Base-Base interactions energy: -223.056 where: short stacking energy: -136.936 Base-Backbone interact. energy: 0.114 local terms energy: -203.122703 where: bonds (distance) C4'-P energy: -51.996 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -50.272 flat angles P-C4'-P energy: -20.600 tors. eta vs tors. theta energy: -22.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -332.551761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.551761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.551761 (E_RNA) where: Base-Base interactions energy: -127.719 where: short stacking energy: -115.537 Base-Backbone interact. energy: -0.034 local terms energy: -204.798880 where: bonds (distance) C4'-P energy: -54.678 bonds (distance) P-C4' energy: -65.101 flat angles C4'-P-C4' energy: -53.343 flat angles P-C4'-P energy: -33.965 tors. eta vs tors. theta energy: 2.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -312.567618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.567618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.567618 (E_RNA) where: Base-Base interactions energy: -103.993 where: short stacking energy: -80.167 Base-Backbone interact. energy: -1.051 local terms energy: -207.523827 where: bonds (distance) C4'-P energy: -54.027 bonds (distance) P-C4' energy: -66.909 flat angles C4'-P-C4' energy: -61.556 flat angles P-C4'-P energy: -27.070 tors. eta vs tors. theta energy: 2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -337.021913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.021913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.021913 (E_RNA) where: Base-Base interactions energy: -165.143 where: short stacking energy: -107.389 Base-Backbone interact. energy: -0.175 local terms energy: -171.704011 where: bonds (distance) C4'-P energy: -52.291 bonds (distance) P-C4' energy: -51.552 flat angles C4'-P-C4' energy: -37.034 flat angles P-C4'-P energy: -26.885 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -280.699206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.699206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.699206 (E_RNA) where: Base-Base interactions energy: -98.587 where: short stacking energy: -88.140 Base-Backbone interact. energy: 2.451 local terms energy: -184.562940 where: bonds (distance) C4'-P energy: -45.457 bonds (distance) P-C4' energy: -60.138 flat angles C4'-P-C4' energy: -39.928 flat angles P-C4'-P energy: -32.577 tors. eta vs tors. theta energy: -6.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -639.258366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.258366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.258366 (E_RNA) where: Base-Base interactions energy: -330.138 where: short stacking energy: -281.298 Base-Backbone interact. energy: 1.411 local terms energy: -310.530650 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -78.403 flat angles C4'-P-C4' energy: -63.966 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -74.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -658.323551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.323551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.323551 (E_RNA) where: Base-Base interactions energy: -379.333 where: short stacking energy: -215.879 Base-Backbone interact. energy: 0.574 local terms energy: -279.563737 where: bonds (distance) C4'-P energy: -58.745 bonds (distance) P-C4' energy: -71.570 flat angles C4'-P-C4' energy: -67.967 flat angles P-C4'-P energy: -34.399 tors. eta vs tors. theta energy: -46.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -498.153272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.153272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.153272 (E_RNA) where: Base-Base interactions energy: -238.654 where: short stacking energy: -177.692 Base-Backbone interact. energy: 1.110 local terms energy: -260.609767 where: bonds (distance) C4'-P energy: -58.355 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -55.155 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -33.932 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: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -566.201305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.201305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.201305 (E_RNA) where: Base-Base interactions energy: -312.748 where: short stacking energy: -180.617 Base-Backbone interact. energy: -0.961 local terms energy: -252.492085 where: bonds (distance) C4'-P energy: -57.543 bonds (distance) P-C4' energy: -63.733 flat angles C4'-P-C4' energy: -56.731 flat angles P-C4'-P energy: -38.888 tors. eta vs tors. theta energy: -35.597 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: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -525.320200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.320200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.320200 (E_RNA) where: Base-Base interactions energy: -278.337 where: short stacking energy: -181.437 Base-Backbone interact. energy: -1.344 local terms energy: -245.639088 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -67.536 flat angles C4'-P-C4' energy: -62.436 flat angles P-C4'-P energy: -27.624 tors. eta vs tors. theta energy: -28.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -377.298563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.298563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.298563 (E_RNA) where: Base-Base interactions energy: -143.545 where: short stacking energy: -135.400 Base-Backbone interact. energy: -0.194 local terms energy: -233.559627 where: bonds (distance) C4'-P energy: -58.817 bonds (distance) P-C4' energy: -57.073 flat angles C4'-P-C4' energy: -42.965 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: -36.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -345.921132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.921132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.921132 (E_RNA) where: Base-Base interactions energy: -143.638 where: short stacking energy: -105.857 Base-Backbone interact. energy: 4.661 local terms energy: -206.944175 where: bonds (distance) C4'-P energy: -50.726 bonds (distance) P-C4' energy: -63.864 flat angles C4'-P-C4' energy: -54.340 flat angles P-C4'-P energy: -29.273 tors. eta vs tors. theta energy: -8.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -341.482431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.482431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.482431 (E_RNA) where: Base-Base interactions energy: -144.924 where: short stacking energy: -142.158 Base-Backbone interact. energy: -1.144 local terms energy: -195.414057 where: bonds (distance) C4'-P energy: -44.289 bonds (distance) P-C4' energy: -46.289 flat angles C4'-P-C4' energy: -44.324 flat angles P-C4'-P energy: -25.929 tors. eta vs tors. theta energy: -34.584 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: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -342.024794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.024794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.024794 (E_RNA) where: Base-Base interactions energy: -173.938 where: short stacking energy: -116.261 Base-Backbone interact. energy: -0.310 local terms energy: -167.776578 where: bonds (distance) C4'-P energy: -43.823 bonds (distance) P-C4' energy: -57.446 flat angles C4'-P-C4' energy: -40.292 flat angles P-C4'-P energy: -17.427 tors. eta vs tors. theta energy: -8.788 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -277.451742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.451742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.451742 (E_RNA) where: Base-Base interactions energy: -80.149 where: short stacking energy: -71.504 Base-Backbone interact. energy: -1.186 local terms energy: -196.116521 where: bonds (distance) C4'-P energy: -53.949 bonds (distance) P-C4' energy: -59.971 flat angles C4'-P-C4' energy: -56.655 flat angles P-C4'-P energy: -26.260 tors. eta vs tors. theta energy: 0.719 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -658.183807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.183807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.183807 (E_RNA) where: Base-Base interactions energy: -338.616 where: short stacking energy: -270.133 Base-Backbone interact. energy: -0.610 local terms energy: -318.958465 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -60.284 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -37.786 tors. eta vs tors. theta energy: -83.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -710.095629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.095629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.095629 (E_RNA) where: Base-Base interactions energy: -439.113 where: short stacking energy: -229.597 Base-Backbone interact. energy: 3.667 local terms energy: -274.650070 where: bonds (distance) C4'-P energy: -47.170 bonds (distance) P-C4' energy: -66.494 flat angles C4'-P-C4' energy: -70.915 flat angles P-C4'-P energy: -47.774 tors. eta vs tors. theta energy: -42.297 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -533.712829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.712829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.712829 (E_RNA) where: Base-Base interactions energy: -289.340 where: short stacking energy: -169.784 Base-Backbone interact. energy: -1.292 local terms energy: -243.080495 where: bonds (distance) C4'-P energy: -54.453 bonds (distance) P-C4' energy: -55.401 flat angles C4'-P-C4' energy: -61.507 flat angles P-C4'-P energy: -36.146 tors. eta vs tors. theta energy: -35.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -555.622963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.622963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.622963 (E_RNA) where: Base-Base interactions energy: -299.051 where: short stacking energy: -159.063 Base-Backbone interact. energy: -1.408 local terms energy: -255.163953 where: bonds (distance) C4'-P energy: -57.460 bonds (distance) P-C4' energy: -65.073 flat angles C4'-P-C4' energy: -53.724 flat angles P-C4'-P energy: -48.026 tors. eta vs tors. theta energy: -30.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -563.837916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.837916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.837916 (E_RNA) where: Base-Base interactions energy: -323.061 where: short stacking energy: -193.890 Base-Backbone interact. energy: -0.858 local terms energy: -239.919135 where: bonds (distance) C4'-P energy: -52.678 bonds (distance) P-C4' energy: -52.044 flat angles C4'-P-C4' energy: -57.324 flat angles P-C4'-P energy: -30.612 tors. eta vs tors. theta energy: -47.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -412.808497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.808497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.808497 (E_RNA) where: Base-Base interactions energy: -204.254 where: short stacking energy: -132.107 Base-Backbone interact. energy: -1.290 local terms energy: -207.264506 where: bonds (distance) C4'-P energy: -51.218 bonds (distance) P-C4' energy: -53.871 flat angles C4'-P-C4' energy: -55.498 flat angles P-C4'-P energy: -33.846 tors. eta vs tors. theta energy: -12.831 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: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -455.509959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.509959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.509959 (E_RNA) where: Base-Base interactions energy: -226.693 where: short stacking energy: -148.723 Base-Backbone interact. energy: -1.653 local terms energy: -227.164449 where: bonds (distance) C4'-P energy: -55.243 bonds (distance) P-C4' energy: -60.460 flat angles C4'-P-C4' energy: -52.642 flat angles P-C4'-P energy: -29.007 tors. eta vs tors. theta energy: -29.813 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -306.389809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.389809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.389809 (E_RNA) where: Base-Base interactions energy: -90.175 where: short stacking energy: -69.563 Base-Backbone interact. energy: 1.882 local terms energy: -218.097024 where: bonds (distance) C4'-P energy: -68.998 bonds (distance) P-C4' energy: -53.690 flat angles C4'-P-C4' energy: -58.859 flat angles P-C4'-P energy: -44.915 tors. eta vs tors. theta energy: 8.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -296.709173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.709173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.709173 (E_RNA) where: Base-Base interactions energy: -135.989 where: short stacking energy: -95.974 Base-Backbone interact. energy: -2.004 local terms energy: -158.716456 where: bonds (distance) C4'-P energy: -50.486 bonds (distance) P-C4' energy: -45.058 flat angles C4'-P-C4' energy: -46.903 flat angles P-C4'-P energy: -23.720 tors. eta vs tors. theta energy: 7.451 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -279.284389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.284389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.284389 (E_RNA) where: Base-Base interactions energy: -109.025 where: short stacking energy: -72.184 Base-Backbone interact. energy: 0.125 local terms energy: -170.384035 where: bonds (distance) C4'-P energy: -54.859 bonds (distance) P-C4' energy: -44.992 flat angles C4'-P-C4' energy: -45.012 flat angles P-C4'-P energy: -33.085 tors. eta vs tors. theta energy: 7.564 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: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -794.777728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.777728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.777728 (E_RNA) where: Base-Base interactions energy: -500.000 where: short stacking energy: -267.290 Base-Backbone interact. energy: -1.386 local terms energy: -293.391837 where: bonds (distance) C4'-P energy: -69.087 bonds (distance) P-C4' energy: -59.264 flat angles C4'-P-C4' energy: -60.916 flat angles P-C4'-P energy: -42.663 tors. eta vs tors. theta energy: -61.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -617.687628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.687628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.687628 (E_RNA) where: Base-Base interactions energy: -294.504 where: short stacking energy: -245.469 Base-Backbone interact. energy: -0.697 local terms energy: -322.486980 where: bonds (distance) C4'-P energy: -64.096 bonds (distance) P-C4' energy: -62.456 flat angles C4'-P-C4' energy: -74.057 flat angles P-C4'-P energy: -43.718 tors. eta vs tors. theta energy: -78.159 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: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -606.380534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.380534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.380534 (E_RNA) where: Base-Base interactions energy: -348.513 where: short stacking energy: -205.934 Base-Backbone interact. energy: -0.940 local terms energy: -256.927687 where: bonds (distance) C4'-P energy: -47.700 bonds (distance) P-C4' energy: -57.472 flat angles C4'-P-C4' energy: -61.050 flat angles P-C4'-P energy: -38.946 tors. eta vs tors. theta energy: -51.759 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: 7 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -606.517204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.517204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.517204 (E_RNA) where: Base-Base interactions energy: -356.650 where: short stacking energy: -187.281 Base-Backbone interact. energy: -1.661 local terms energy: -248.206395 where: bonds (distance) C4'-P energy: -52.157 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -62.661 flat angles P-C4'-P energy: -40.585 tors. eta vs tors. theta energy: -33.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -588.263063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.263063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.263063 (E_RNA) where: Base-Base interactions energy: -338.524 where: short stacking energy: -164.067 Base-Backbone interact. energy: 2.727 local terms energy: -252.465744 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -64.585 flat angles C4'-P-C4' energy: -61.761 flat angles P-C4'-P energy: -35.699 tors. eta vs tors. theta energy: -30.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -499.384248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.384248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.384248 (E_RNA) where: Base-Base interactions energy: -267.069 where: short stacking energy: -170.849 Base-Backbone interact. energy: 3.332 local terms energy: -235.647961 where: bonds (distance) C4'-P energy: -59.459 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -56.841 flat angles P-C4'-P energy: -31.676 tors. eta vs tors. theta energy: -32.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -455.452586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.452586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.452586 (E_RNA) where: Base-Base interactions energy: -230.591 where: short stacking energy: -130.482 Base-Backbone interact. energy: -0.815 local terms energy: -224.046531 where: bonds (distance) C4'-P energy: -59.004 bonds (distance) P-C4' energy: -58.451 flat angles C4'-P-C4' energy: -53.629 flat angles P-C4'-P energy: -27.204 tors. eta vs tors. theta energy: -25.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -310.186000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.186000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.186000 (E_RNA) where: Base-Base interactions energy: -117.224 where: short stacking energy: -98.484 Base-Backbone interact. energy: -1.205 local terms energy: -191.756833 where: bonds (distance) C4'-P energy: -48.152 bonds (distance) P-C4' energy: -50.700 flat angles C4'-P-C4' energy: -55.175 flat angles P-C4'-P energy: -34.256 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -301.443435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.443435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.443435 (E_RNA) where: Base-Base interactions energy: -114.564 where: short stacking energy: -94.474 Base-Backbone interact. energy: 1.370 local terms energy: -188.249458 where: bonds (distance) C4'-P energy: -48.015 bonds (distance) P-C4' energy: -49.640 flat angles C4'-P-C4' energy: -51.086 flat angles P-C4'-P energy: -31.549 tors. eta vs tors. theta energy: -7.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -300.068832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.068832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.068832 (E_RNA) where: Base-Base interactions energy: -139.162 where: short stacking energy: -90.019 Base-Backbone interact. energy: 1.585 local terms energy: -162.492271 where: bonds (distance) C4'-P energy: -37.614 bonds (distance) P-C4' energy: -53.411 flat angles C4'-P-C4' energy: -48.308 flat angles P-C4'-P energy: -19.523 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -788.396147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.396147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.396147 (E_RNA) where: Base-Base interactions energy: -476.552 where: short stacking energy: -249.949 Base-Backbone interact. energy: -0.306 local terms energy: -311.537516 where: bonds (distance) C4'-P energy: -64.822 bonds (distance) P-C4' energy: -72.125 flat angles C4'-P-C4' energy: -65.416 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -69.525 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: 7 Temperature: 0.950000 Total energy: -678.213122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.213122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.213122 (E_RNA) where: Base-Base interactions energy: -405.556 where: short stacking energy: -209.155 Base-Backbone interact. energy: -0.454 local terms energy: -272.203347 where: bonds (distance) C4'-P energy: -59.934 bonds (distance) P-C4' energy: -73.178 flat angles C4'-P-C4' energy: -61.218 flat angles P-C4'-P energy: -34.935 tors. eta vs tors. theta energy: -42.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -599.716551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.716551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.716551 (E_RNA) where: Base-Base interactions energy: -312.264 where: short stacking energy: -214.540 Base-Backbone interact. energy: -0.616 local terms energy: -286.836735 where: bonds (distance) C4'-P energy: -67.281 bonds (distance) P-C4' energy: -61.602 flat angles C4'-P-C4' energy: -71.051 flat angles P-C4'-P energy: -37.687 tors. eta vs tors. theta energy: -49.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -687.307040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.307040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.307040 (E_RNA) where: Base-Base interactions energy: -417.995 where: short stacking energy: -214.395 Base-Backbone interact. energy: 2.043 local terms energy: -271.354818 where: bonds (distance) C4'-P energy: -50.275 bonds (distance) P-C4' energy: -58.867 flat angles C4'-P-C4' energy: -61.909 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -50.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -615.083800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.083800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.083800 (E_RNA) where: Base-Base interactions energy: -357.064 where: short stacking energy: -211.570 Base-Backbone interact. energy: -1.239 local terms energy: -256.781221 where: bonds (distance) C4'-P energy: -56.629 bonds (distance) P-C4' energy: -62.567 flat angles C4'-P-C4' energy: -52.394 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -47.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -503.311487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.311487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.311487 (E_RNA) where: Base-Base interactions energy: -268.662 where: short stacking energy: -161.104 Base-Backbone interact. energy: -1.717 local terms energy: -232.932650 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -57.481 flat angles C4'-P-C4' energy: -66.638 flat angles P-C4'-P energy: -33.204 tors. eta vs tors. theta energy: -21.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -521.682090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.682090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.682090 (E_RNA) where: Base-Base interactions energy: -287.324 where: short stacking energy: -168.621 Base-Backbone interact. energy: -1.734 local terms energy: -232.623808 where: bonds (distance) C4'-P energy: -55.686 bonds (distance) P-C4' energy: -57.820 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -32.032 tors. eta vs tors. theta energy: -22.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -316.343769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.343769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.343769 (E_RNA) where: Base-Base interactions energy: -102.250 where: short stacking energy: -84.530 Base-Backbone interact. energy: -2.933 local terms energy: -211.160822 where: bonds (distance) C4'-P energy: -60.215 bonds (distance) P-C4' energy: -50.669 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -34.631 tors. eta vs tors. theta energy: -5.728 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: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -289.199990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.199990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.199990 (E_RNA) where: Base-Base interactions energy: -89.735 where: short stacking energy: -79.584 Base-Backbone interact. energy: -0.399 local terms energy: -199.066500 where: bonds (distance) C4'-P energy: -54.488 bonds (distance) P-C4' energy: -55.116 flat angles C4'-P-C4' energy: -57.088 flat angles P-C4'-P energy: -26.950 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -282.945162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.945162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.945162 (E_RNA) where: Base-Base interactions energy: -113.253 where: short stacking energy: -87.303 Base-Backbone interact. energy: -1.049 local terms energy: -168.643539 where: bonds (distance) C4'-P energy: -36.898 bonds (distance) P-C4' energy: -49.919 flat angles C4'-P-C4' energy: -47.821 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: 3.282 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: 8 Temperature: 0.900000 Total energy: -809.544238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.544238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.544238 (E_RNA) where: Base-Base interactions energy: -509.541 where: short stacking energy: -249.818 Base-Backbone interact. energy: -0.300 local terms energy: -299.703555 where: bonds (distance) C4'-P energy: -66.065 bonds (distance) P-C4' energy: -65.698 flat angles C4'-P-C4' energy: -56.703 flat angles P-C4'-P energy: -47.129 tors. eta vs tors. theta energy: -64.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -745.046890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.046890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.046890 (E_RNA) where: Base-Base interactions energy: -450.724 where: short stacking energy: -236.714 Base-Backbone interact. energy: -0.055 local terms energy: -294.268277 where: bonds (distance) C4'-P energy: -49.914 bonds (distance) P-C4' energy: -62.797 flat angles C4'-P-C4' energy: -69.957 flat angles P-C4'-P energy: -45.827 tors. eta vs tors. theta energy: -65.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -699.735306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.735306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.735306 (E_RNA) where: Base-Base interactions energy: -416.018 where: short stacking energy: -221.447 Base-Backbone interact. energy: -2.230 local terms energy: -281.488223 where: bonds (distance) C4'-P energy: -53.984 bonds (distance) P-C4' energy: -63.149 flat angles C4'-P-C4' energy: -77.256 flat angles P-C4'-P energy: -38.976 tors. eta vs tors. theta energy: -48.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -587.314162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.314162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.314162 (E_RNA) where: Base-Base interactions energy: -306.008 where: short stacking energy: -185.806 Base-Backbone interact. energy: -1.403 local terms energy: -279.902487 where: bonds (distance) C4'-P energy: -61.973 bonds (distance) P-C4' energy: -66.860 flat angles C4'-P-C4' energy: -61.564 flat angles P-C4'-P energy: -36.908 tors. eta vs tors. theta energy: -52.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -659.466310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.466310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.466310 (E_RNA) where: Base-Base interactions energy: -427.646 where: short stacking energy: -206.997 Base-Backbone interact. energy: 1.561 local terms energy: -233.381627 where: bonds (distance) C4'-P energy: -56.265 bonds (distance) P-C4' energy: -38.728 flat angles C4'-P-C4' energy: -60.277 flat angles P-C4'-P energy: -32.647 tors. eta vs tors. theta energy: -45.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -498.405388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.405388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.405388 (E_RNA) where: Base-Base interactions energy: -267.798 where: short stacking energy: -168.993 Base-Backbone interact. energy: -0.837 local terms energy: -229.770371 where: bonds (distance) C4'-P energy: -54.981 bonds (distance) P-C4' energy: -62.261 flat angles C4'-P-C4' energy: -57.900 flat angles P-C4'-P energy: -26.001 tors. eta vs tors. theta energy: -28.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -562.356039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.356039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.356039 (E_RNA) where: Base-Base interactions energy: -315.114 where: short stacking energy: -154.031 Base-Backbone interact. energy: -1.459 local terms energy: -245.782887 where: bonds (distance) C4'-P energy: -52.385 bonds (distance) P-C4' energy: -61.735 flat angles C4'-P-C4' energy: -59.924 flat angles P-C4'-P energy: -36.070 tors. eta vs tors. theta energy: -35.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -341.804997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.804997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.804997 (E_RNA) where: Base-Base interactions energy: -134.632 where: short stacking energy: -102.899 Base-Backbone interact. energy: -1.054 local terms energy: -206.119323 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -56.058 flat angles C4'-P-C4' energy: -49.073 flat angles P-C4'-P energy: -34.905 tors. eta vs tors. theta energy: -6.972 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: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -307.659109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.659109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.659109 (E_RNA) where: Base-Base interactions energy: -108.927 where: short stacking energy: -99.045 Base-Backbone interact. energy: 0.953 local terms energy: -199.685002 where: bonds (distance) C4'-P energy: -61.404 bonds (distance) P-C4' energy: -63.779 flat angles C4'-P-C4' energy: -47.631 flat angles P-C4'-P energy: -27.543 tors. eta vs tors. theta energy: 0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -303.559796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.559796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.559796 (E_RNA) where: Base-Base interactions energy: -138.138 where: short stacking energy: -81.295 Base-Backbone interact. energy: 1.885 local terms energy: -167.306683 where: bonds (distance) C4'-P energy: -38.962 bonds (distance) P-C4' energy: -47.210 flat angles C4'-P-C4' energy: -54.549 flat angles P-C4'-P energy: -40.549 tors. eta vs tors. theta energy: 13.963 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: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -796.206781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.206781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.206781 (E_RNA) where: Base-Base interactions energy: -485.641 where: short stacking energy: -241.719 Base-Backbone interact. energy: 0.588 local terms energy: -311.153310 where: bonds (distance) C4'-P energy: -70.086 bonds (distance) P-C4' energy: -59.654 flat angles C4'-P-C4' energy: -63.520 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -73.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -764.650083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.650083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.650083 (E_RNA) where: Base-Base interactions energy: -471.559 where: short stacking energy: -235.223 Base-Backbone interact. energy: -1.125 local terms energy: -291.965495 where: bonds (distance) C4'-P energy: -64.581 bonds (distance) P-C4' energy: -61.835 flat angles C4'-P-C4' energy: -59.233 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -62.263 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: 7 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -788.773946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.773946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.773946 (E_RNA) where: Base-Base interactions energy: -486.969 where: short stacking energy: -256.824 Base-Backbone interact. energy: -0.986 local terms energy: -300.819023 where: bonds (distance) C4'-P energy: -62.543 bonds (distance) P-C4' energy: -56.910 flat angles C4'-P-C4' energy: -61.960 flat angles P-C4'-P energy: -41.324 tors. eta vs tors. theta energy: -78.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -755.287282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.287282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.287282 (E_RNA) where: Base-Base interactions energy: -477.380 where: short stacking energy: -228.971 Base-Backbone interact. energy: -0.910 local terms energy: -276.996451 where: bonds (distance) C4'-P energy: -63.650 bonds (distance) P-C4' energy: -59.123 flat angles C4'-P-C4' energy: -52.296 flat angles P-C4'-P energy: -47.122 tors. eta vs tors. theta energy: -54.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -612.848386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.848386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.848386 (E_RNA) where: Base-Base interactions energy: -365.889 where: short stacking energy: -189.958 Base-Backbone interact. energy: 1.805 local terms energy: -248.764775 where: bonds (distance) C4'-P energy: -56.353 bonds (distance) P-C4' energy: -67.089 flat angles C4'-P-C4' energy: -50.470 flat angles P-C4'-P energy: -37.416 tors. eta vs tors. theta energy: -37.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -585.366396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.366396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.366396 (E_RNA) where: Base-Base interactions energy: -338.044 where: short stacking energy: -160.804 Base-Backbone interact. energy: -2.065 local terms energy: -245.257721 where: bonds (distance) C4'-P energy: -57.537 bonds (distance) P-C4' energy: -65.670 flat angles C4'-P-C4' energy: -55.983 flat angles P-C4'-P energy: -37.405 tors. eta vs tors. theta energy: -28.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -509.981454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.981454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.981454 (E_RNA) where: Base-Base interactions energy: -285.263 where: short stacking energy: -169.548 Base-Backbone interact. energy: 0.320 local terms energy: -225.038421 where: bonds (distance) C4'-P energy: -59.913 bonds (distance) P-C4' energy: -46.637 flat angles C4'-P-C4' energy: -56.957 flat angles P-C4'-P energy: -33.952 tors. eta vs tors. theta energy: -27.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -318.221739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.221739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.221739 (E_RNA) where: Base-Base interactions energy: -132.350 where: short stacking energy: -102.829 Base-Backbone interact. energy: -1.252 local terms energy: -184.619419 where: bonds (distance) C4'-P energy: -53.062 bonds (distance) P-C4' energy: -57.046 flat angles C4'-P-C4' energy: -41.446 flat angles P-C4'-P energy: -29.514 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -356.933235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.933235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.933235 (E_RNA) where: Base-Base interactions energy: -168.793 where: short stacking energy: -87.207 Base-Backbone interact. energy: 0.178 local terms energy: -188.317865 where: bonds (distance) C4'-P energy: -55.260 bonds (distance) P-C4' energy: -57.010 flat angles C4'-P-C4' energy: -51.717 flat angles P-C4'-P energy: -27.089 tors. eta vs tors. theta energy: 2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -299.286672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.286672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.286672 (E_RNA) where: Base-Base interactions energy: -110.291 where: short stacking energy: -67.973 Base-Backbone interact. energy: 0.724 local terms energy: -189.720496 where: bonds (distance) C4'-P energy: -59.129 bonds (distance) P-C4' energy: -57.369 flat angles C4'-P-C4' energy: -42.082 flat angles P-C4'-P energy: -38.820 tors. eta vs tors. theta energy: 7.679 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: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -835.772674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.772674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.772674 (E_RNA) where: Base-Base interactions energy: -527.568 where: short stacking energy: -265.056 Base-Backbone interact. energy: 0.458 local terms energy: -308.662405 where: bonds (distance) C4'-P energy: -58.955 bonds (distance) P-C4' energy: -63.529 flat angles C4'-P-C4' energy: -75.411 flat angles P-C4'-P energy: -47.905 tors. eta vs tors. theta energy: -62.862 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: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -774.401639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.401639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.401639 (E_RNA) where: Base-Base interactions energy: -478.766 where: short stacking energy: -255.133 Base-Backbone interact. energy: -0.637 local terms energy: -294.998612 where: bonds (distance) C4'-P energy: -56.821 bonds (distance) P-C4' energy: -61.209 flat angles C4'-P-C4' energy: -65.730 flat angles P-C4'-P energy: -39.878 tors. eta vs tors. theta energy: -71.361 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: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -788.357682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.357682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.357682 (E_RNA) where: Base-Base interactions energy: -503.355 where: short stacking energy: -227.351 Base-Backbone interact. energy: -1.059 local terms energy: -283.943716 where: bonds (distance) C4'-P energy: -66.299 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -61.435 flat angles P-C4'-P energy: -35.725 tors. eta vs tors. theta energy: -58.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -769.424648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.424648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.424648 (E_RNA) where: Base-Base interactions energy: -493.923 where: short stacking energy: -234.069 Base-Backbone interact. energy: -1.138 local terms energy: -274.363904 where: bonds (distance) C4'-P energy: -57.831 bonds (distance) P-C4' energy: -64.729 flat angles C4'-P-C4' energy: -66.069 flat angles P-C4'-P energy: -33.333 tors. eta vs tors. theta energy: -52.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -592.520037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.520037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.520037 (E_RNA) where: Base-Base interactions energy: -330.872 where: short stacking energy: -191.860 Base-Backbone interact. energy: -0.546 local terms energy: -261.102648 where: bonds (distance) C4'-P energy: -62.245 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -61.636 flat angles P-C4'-P energy: -36.840 tors. eta vs tors. theta energy: -35.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -585.995067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.995067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.995067 (E_RNA) where: Base-Base interactions energy: -353.807 where: short stacking energy: -184.027 Base-Backbone interact. energy: -0.016 local terms energy: -232.171660 where: bonds (distance) C4'-P energy: -54.295 bonds (distance) P-C4' energy: -54.549 flat angles C4'-P-C4' energy: -57.685 flat angles P-C4'-P energy: -32.067 tors. eta vs tors. theta energy: -33.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -493.820463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.820463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.820463 (E_RNA) where: Base-Base interactions energy: -286.152 where: short stacking energy: -152.379 Base-Backbone interact. energy: 0.312 local terms energy: -207.980781 where: bonds (distance) C4'-P energy: -55.846 bonds (distance) P-C4' energy: -45.240 flat angles C4'-P-C4' energy: -53.602 flat angles P-C4'-P energy: -33.262 tors. eta vs tors. theta energy: -20.031 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: 10 Temperature: 1.250000 Total energy: -364.417054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.417054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.417054 (E_RNA) where: Base-Base interactions energy: -164.427 where: short stacking energy: -112.307 Base-Backbone interact. energy: 0.139 local terms energy: -200.129113 where: bonds (distance) C4'-P energy: -43.528 bonds (distance) P-C4' energy: -63.529 flat angles C4'-P-C4' energy: -47.502 flat angles P-C4'-P energy: -33.733 tors. eta vs tors. theta energy: -11.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -336.580376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.580376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.580376 (E_RNA) where: Base-Base interactions energy: -162.373 where: short stacking energy: -113.329 Base-Backbone interact. energy: 4.563 local terms energy: -178.770428 where: bonds (distance) C4'-P energy: -54.332 bonds (distance) P-C4' energy: -50.486 flat angles C4'-P-C4' energy: -43.368 flat angles P-C4'-P energy: -32.684 tors. eta vs tors. theta energy: 2.099 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: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -293.526693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.526693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.526693 (E_RNA) where: Base-Base interactions energy: -124.902 where: short stacking energy: -86.603 Base-Backbone interact. energy: -0.592 local terms energy: -168.032590 where: bonds (distance) C4'-P energy: -45.650 bonds (distance) P-C4' energy: -49.545 flat angles C4'-P-C4' energy: -57.907 flat angles P-C4'-P energy: -24.640 tors. eta vs tors. theta energy: 9.709 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: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -867.070868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.070868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.070868 (E_RNA) where: Base-Base interactions energy: -555.143 where: short stacking energy: -257.847 Base-Backbone interact. energy: -1.082 local terms energy: -310.845464 where: bonds (distance) C4'-P energy: -61.801 bonds (distance) P-C4' energy: -62.152 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -67.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -792.748501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.748501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.748501 (E_RNA) where: Base-Base interactions energy: -482.467 where: short stacking energy: -264.975 Base-Backbone interact. energy: -0.580 local terms energy: -309.701491 where: bonds (distance) C4'-P energy: -63.291 bonds (distance) P-C4' energy: -70.364 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -41.983 tors. eta vs tors. theta energy: -69.397 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: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -739.135362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.135362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.135362 (E_RNA) where: Base-Base interactions energy: -445.786 where: short stacking energy: -242.499 Base-Backbone interact. energy: -0.333 local terms energy: -293.016006 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -68.330 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -60.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -794.337263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.337263 (E_RNA) where: Base-Base interactions energy: -513.844 where: short stacking energy: -247.315 Base-Backbone interact. energy: 0.984 local terms energy: -281.477871 where: bonds (distance) C4'-P energy: -62.534 bonds (distance) P-C4' energy: -62.270 flat angles C4'-P-C4' energy: -60.508 flat angles P-C4'-P energy: -39.357 tors. eta vs tors. theta energy: -56.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -673.746586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.746586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.746586 (E_RNA) where: Base-Base interactions energy: -394.026 where: short stacking energy: -209.761 Base-Backbone interact. energy: -0.439 local terms energy: -279.281508 where: bonds (distance) C4'-P energy: -56.828 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -61.560 flat angles P-C4'-P energy: -43.644 tors. eta vs tors. theta energy: -46.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -525.754981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.754981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.754981 (E_RNA) where: Base-Base interactions energy: -296.524 where: short stacking energy: -182.705 Base-Backbone interact. energy: -0.586 local terms energy: -228.644570 where: bonds (distance) C4'-P energy: -58.977 bonds (distance) P-C4' energy: -46.267 flat angles C4'-P-C4' energy: -63.823 flat angles P-C4'-P energy: -26.174 tors. eta vs tors. theta energy: -33.403 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: 1 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -550.697795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.697795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.697795 (E_RNA) where: Base-Base interactions energy: -319.419 where: short stacking energy: -166.076 Base-Backbone interact. energy: -1.485 local terms energy: -229.793443 where: bonds (distance) C4'-P energy: -47.307 bonds (distance) P-C4' energy: -45.804 flat angles C4'-P-C4' energy: -59.704 flat angles P-C4'-P energy: -35.736 tors. eta vs tors. theta energy: -41.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -397.835277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.835277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.835277 (E_RNA) where: Base-Base interactions energy: -194.207 where: short stacking energy: -126.324 Base-Backbone interact. energy: 0.891 local terms energy: -204.519114 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -57.748 flat angles C4'-P-C4' energy: -52.524 flat angles P-C4'-P energy: -27.958 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -356.855561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.855561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.855561 (E_RNA) where: Base-Base interactions energy: -168.712 where: short stacking energy: -93.711 Base-Backbone interact. energy: -0.005 local terms energy: -188.138217 where: bonds (distance) C4'-P energy: -42.331 bonds (distance) P-C4' energy: -51.974 flat angles C4'-P-C4' energy: -57.585 flat angles P-C4'-P energy: -35.872 tors. eta vs tors. theta energy: -0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -290.221503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.221503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.221503 (E_RNA) where: Base-Base interactions energy: -111.452 where: short stacking energy: -94.907 Base-Backbone interact. energy: -1.470 local terms energy: -177.299000 where: bonds (distance) C4'-P energy: -37.353 bonds (distance) P-C4' energy: -56.788 flat angles C4'-P-C4' energy: -51.952 flat angles P-C4'-P energy: -26.867 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -858.330426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.330426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.330426 (E_RNA) where: Base-Base interactions energy: -539.426 where: short stacking energy: -271.641 Base-Backbone interact. energy: -1.020 local terms energy: -317.884679 where: bonds (distance) C4'-P energy: -61.910 bonds (distance) P-C4' energy: -64.254 flat angles C4'-P-C4' energy: -76.229 flat angles P-C4'-P energy: -41.472 tors. eta vs tors. theta energy: -74.019 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: 2, replica: 7 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -821.589040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.589040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.589040 (E_RNA) where: Base-Base interactions energy: -506.156 where: short stacking energy: -267.722 Base-Backbone interact. energy: -0.216 local terms energy: -315.216951 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -70.527 flat angles C4'-P-C4' energy: -60.330 flat angles P-C4'-P energy: -49.991 tors. eta vs tors. theta energy: -73.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -854.720141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.720141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.720141 (E_RNA) where: Base-Base interactions energy: -554.733 where: short stacking energy: -244.078 Base-Backbone interact. energy: -1.429 local terms energy: -298.557818 where: bonds (distance) C4'-P energy: -56.842 bonds (distance) P-C4' energy: -68.559 flat angles C4'-P-C4' energy: -73.750 flat angles P-C4'-P energy: -41.071 tors. eta vs tors. theta energy: -58.337 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: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -682.489131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.489131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.489131 (E_RNA) where: Base-Base interactions energy: -393.055 where: short stacking energy: -228.074 Base-Backbone interact. energy: 2.074 local terms energy: -291.508656 where: bonds (distance) C4'-P energy: -67.134 bonds (distance) P-C4' energy: -72.175 flat angles C4'-P-C4' energy: -60.141 flat angles P-C4'-P energy: -32.770 tors. eta vs tors. theta energy: -59.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -676.213802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.213802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.213802 (E_RNA) where: Base-Base interactions energy: -446.939 where: short stacking energy: -204.548 Base-Backbone interact. energy: 0.897 local terms energy: -230.171390 where: bonds (distance) C4'-P energy: -47.485 bonds (distance) P-C4' energy: -66.205 flat angles C4'-P-C4' energy: -56.419 flat angles P-C4'-P energy: -17.472 tors. eta vs tors. theta energy: -42.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -563.735205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.735205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.735205 (E_RNA) where: Base-Base interactions energy: -319.932 where: short stacking energy: -195.935 Base-Backbone interact. energy: -0.979 local terms energy: -242.824232 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -46.492 flat angles C4'-P-C4' energy: -63.831 flat angles P-C4'-P energy: -25.971 tors. eta vs tors. theta energy: -48.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -516.329122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.329122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.329122 (E_RNA) where: Base-Base interactions energy: -280.012 where: short stacking energy: -149.137 Base-Backbone interact. energy: -1.461 local terms energy: -234.856440 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -61.431 flat angles C4'-P-C4' energy: -53.115 flat angles P-C4'-P energy: -24.190 tors. eta vs tors. theta energy: -36.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -419.441841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.441841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.441841 (E_RNA) where: Base-Base interactions energy: -214.360 where: short stacking energy: -118.477 Base-Backbone interact. energy: -1.037 local terms energy: -204.045470 where: bonds (distance) C4'-P energy: -59.770 bonds (distance) P-C4' energy: -44.584 flat angles C4'-P-C4' energy: -49.862 flat angles P-C4'-P energy: -39.549 tors. eta vs tors. theta energy: -10.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -449.971143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.971143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.971143 (E_RNA) where: Base-Base interactions energy: -245.989 where: short stacking energy: -134.401 Base-Backbone interact. energy: 2.893 local terms energy: -206.875377 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -55.494 flat angles C4'-P-C4' energy: -41.729 flat angles P-C4'-P energy: -35.293 tors. eta vs tors. theta energy: -18.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -269.587241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.587241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.587241 (E_RNA) where: Base-Base interactions energy: -119.401 where: short stacking energy: -91.782 Base-Backbone interact. energy: -1.649 local terms energy: -148.536802 where: bonds (distance) C4'-P energy: -58.065 bonds (distance) P-C4' energy: -46.430 flat angles C4'-P-C4' energy: -29.693 flat angles P-C4'-P energy: -17.976 tors. eta vs tors. theta energy: 3.627 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: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -873.207685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.207685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.207685 (E_RNA) where: Base-Base interactions energy: -574.174 where: short stacking energy: -266.589 Base-Backbone interact. energy: 0.214 local terms energy: -299.247603 where: bonds (distance) C4'-P energy: -56.323 bonds (distance) P-C4' energy: -61.322 flat angles C4'-P-C4' energy: -65.703 flat angles P-C4'-P energy: -46.727 tors. eta vs tors. theta energy: -69.174 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: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -874.644591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.644591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.644591 (E_RNA) where: Base-Base interactions energy: -557.664 where: short stacking energy: -250.565 Base-Backbone interact. energy: -1.304 local terms energy: -315.677454 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -63.759 flat angles C4'-P-C4' energy: -74.387 flat angles P-C4'-P energy: -50.536 tors. eta vs tors. theta energy: -63.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -833.236906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.236906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.236906 (E_RNA) where: Base-Base interactions energy: -555.305 where: short stacking energy: -247.375 Base-Backbone interact. energy: -1.301 local terms energy: -276.631218 where: bonds (distance) C4'-P energy: -57.193 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -59.788 flat angles P-C4'-P energy: -35.393 tors. eta vs tors. theta energy: -61.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -675.756433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.756433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.756433 (E_RNA) where: Base-Base interactions energy: -428.726 where: short stacking energy: -204.000 Base-Backbone interact. energy: -1.588 local terms energy: -245.442607 where: bonds (distance) C4'-P energy: -50.580 bonds (distance) P-C4' energy: -55.893 flat angles C4'-P-C4' energy: -57.821 flat angles P-C4'-P energy: -40.874 tors. eta vs tors. theta energy: -40.276 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: 13 Temperature: 1.100000 Total energy: -652.054422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.054422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.054422 (E_RNA) where: Base-Base interactions energy: -396.913 where: short stacking energy: -220.934 Base-Backbone interact. energy: -1.613 local terms energy: -253.528399 where: bonds (distance) C4'-P energy: -54.763 bonds (distance) P-C4' energy: -60.522 flat angles C4'-P-C4' energy: -59.434 flat angles P-C4'-P energy: -29.332 tors. eta vs tors. theta energy: -49.477 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: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -549.755336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.755336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.755336 (E_RNA) where: Base-Base interactions energy: -318.445 where: short stacking energy: -186.362 Base-Backbone interact. energy: 2.064 local terms energy: -233.374220 where: bonds (distance) C4'-P energy: -58.540 bonds (distance) P-C4' energy: -56.089 flat angles C4'-P-C4' energy: -54.164 flat angles P-C4'-P energy: -32.118 tors. eta vs tors. theta energy: -32.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -472.544962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.544962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.544962 (E_RNA) where: Base-Base interactions energy: -258.023 where: short stacking energy: -131.834 Base-Backbone interact. energy: -0.677 local terms energy: -213.844478 where: bonds (distance) C4'-P energy: -54.144 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -53.201 flat angles P-C4'-P energy: -29.201 tors. eta vs tors. theta energy: -19.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -453.430344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.430344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.430344 (E_RNA) where: Base-Base interactions energy: -228.785 where: short stacking energy: -111.126 Base-Backbone interact. energy: -0.600 local terms energy: -224.046024 where: bonds (distance) C4'-P energy: -56.685 bonds (distance) P-C4' energy: -67.038 flat angles C4'-P-C4' energy: -55.419 flat angles P-C4'-P energy: -32.095 tors. eta vs tors. theta energy: -12.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -350.242592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.242592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.242592 (E_RNA) where: Base-Base interactions energy: -164.596 where: short stacking energy: -103.867 Base-Backbone interact. energy: -1.568 local terms energy: -184.078182 where: bonds (distance) C4'-P energy: -47.511 bonds (distance) P-C4' energy: -58.630 flat angles C4'-P-C4' energy: -44.982 flat angles P-C4'-P energy: -27.225 tors. eta vs tors. theta energy: -5.731 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: 8 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -298.074315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.074315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.074315 (E_RNA) where: Base-Base interactions energy: -117.714 where: short stacking energy: -84.808 Base-Backbone interact. energy: 0.578 local terms energy: -180.938958 where: bonds (distance) C4'-P energy: -48.496 bonds (distance) P-C4' energy: -57.286 flat angles C4'-P-C4' energy: -47.356 flat angles P-C4'-P energy: -29.430 tors. eta vs tors. theta energy: 1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -901.894444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.894444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.894444 (E_RNA) where: Base-Base interactions energy: -591.914 where: short stacking energy: -251.011 Base-Backbone interact. energy: 0.180 local terms energy: -310.160115 where: bonds (distance) C4'-P energy: -71.555 bonds (distance) P-C4' energy: -58.620 flat angles C4'-P-C4' energy: -67.581 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -68.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -830.744022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.744022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.744022 (E_RNA) where: Base-Base interactions energy: -527.936 where: short stacking energy: -261.925 Base-Backbone interact. energy: -1.554 local terms energy: -301.253912 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -61.519 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -60.540 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: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -834.319731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.319731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.319731 (E_RNA) where: Base-Base interactions energy: -555.792 where: short stacking energy: -242.322 Base-Backbone interact. energy: -2.298 local terms energy: -276.229308 where: bonds (distance) C4'-P energy: -50.672 bonds (distance) P-C4' energy: -59.668 flat angles C4'-P-C4' energy: -62.111 flat angles P-C4'-P energy: -47.873 tors. eta vs tors. theta energy: -55.906 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: 14 Temperature: 1.050000 Total energy: -725.685087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.685087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.685087 (E_RNA) where: Base-Base interactions energy: -450.725 where: short stacking energy: -211.062 Base-Backbone interact. energy: -2.382 local terms energy: -272.578588 where: bonds (distance) C4'-P energy: -55.038 bonds (distance) P-C4' energy: -65.192 flat angles C4'-P-C4' energy: -63.315 flat angles P-C4'-P energy: -38.618 tors. eta vs tors. theta energy: -50.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -643.845812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.845812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.845812 (E_RNA) where: Base-Base interactions energy: -393.143 where: short stacking energy: -211.184 Base-Backbone interact. energy: -2.590 local terms energy: -248.113132 where: bonds (distance) C4'-P energy: -47.986 bonds (distance) P-C4' energy: -58.506 flat angles C4'-P-C4' energy: -62.191 flat angles P-C4'-P energy: -27.556 tors. eta vs tors. theta energy: -51.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -520.104922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.104922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.104922 (E_RNA) where: Base-Base interactions energy: -280.343 where: short stacking energy: -153.207 Base-Backbone interact. energy: 0.425 local terms energy: -240.187036 where: bonds (distance) C4'-P energy: -54.156 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -62.333 flat angles P-C4'-P energy: -40.471 tors. eta vs tors. theta energy: -22.349 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: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -498.566597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.566597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.566597 (E_RNA) where: Base-Base interactions energy: -268.487 where: short stacking energy: -149.266 Base-Backbone interact. energy: 0.074 local terms energy: -230.153130 where: bonds (distance) C4'-P energy: -55.216 bonds (distance) P-C4' energy: -62.292 flat angles C4'-P-C4' energy: -56.454 flat angles P-C4'-P energy: -36.629 tors. eta vs tors. theta energy: -19.561 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: 1 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -445.538168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.538168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.538168 (E_RNA) where: Base-Base interactions energy: -242.097 where: short stacking energy: -142.579 Base-Backbone interact. energy: 0.125 local terms energy: -203.565897 where: bonds (distance) C4'-P energy: -46.846 bonds (distance) P-C4' energy: -57.073 flat angles C4'-P-C4' energy: -54.835 flat angles P-C4'-P energy: -19.277 tors. eta vs tors. theta energy: -25.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -326.693911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.693911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.693911 (E_RNA) where: Base-Base interactions energy: -147.869 where: short stacking energy: -89.079 Base-Backbone interact. energy: -1.899 local terms energy: -176.925708 where: bonds (distance) C4'-P energy: -55.286 bonds (distance) P-C4' energy: -49.810 flat angles C4'-P-C4' energy: -41.506 flat angles P-C4'-P energy: -36.815 tors. eta vs tors. theta energy: 6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -309.575159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.575159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.575159 (E_RNA) where: Base-Base interactions energy: -129.143 where: short stacking energy: -72.781 Base-Backbone interact. energy: 2.223 local terms energy: -182.654958 where: bonds (distance) C4'-P energy: -51.670 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -48.238 flat angles P-C4'-P energy: -28.813 tors. eta vs tors. theta energy: 5.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -934.258486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.258486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.258486 (E_RNA) where: Base-Base interactions energy: -619.066 where: short stacking energy: -288.299 Base-Backbone interact. energy: -0.385 local terms energy: -314.807453 where: bonds (distance) C4'-P energy: -49.989 bonds (distance) P-C4' energy: -65.095 flat angles C4'-P-C4' energy: -75.822 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: -83.635 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: 15 Temperature: 0.950000 Total energy: -858.385419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.385419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.385419 (E_RNA) where: Base-Base interactions energy: -546.000 where: short stacking energy: -263.633 Base-Backbone interact. energy: -1.835 local terms energy: -310.549741 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -66.610 flat angles C4'-P-C4' energy: -69.015 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -67.541 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: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -789.394950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.394950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.394950 (E_RNA) where: Base-Base interactions energy: -519.717 where: short stacking energy: -241.724 Base-Backbone interact. energy: -1.062 local terms energy: -268.615862 where: bonds (distance) C4'-P energy: -59.108 bonds (distance) P-C4' energy: -51.108 flat angles C4'-P-C4' energy: -64.548 flat angles P-C4'-P energy: -36.346 tors. eta vs tors. theta energy: -57.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -696.868254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.868254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.868254 (E_RNA) where: Base-Base interactions energy: -418.491 where: short stacking energy: -197.469 Base-Backbone interact. energy: -2.381 local terms energy: -275.995933 where: bonds (distance) C4'-P energy: -65.776 bonds (distance) P-C4' energy: -61.980 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -37.157 tors. eta vs tors. theta energy: -46.745 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: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -649.893773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.893773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.893773 (E_RNA) where: Base-Base interactions energy: -377.283 where: short stacking energy: -189.522 Base-Backbone interact. energy: 0.273 local terms energy: -272.883917 where: bonds (distance) C4'-P energy: -59.870 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -67.364 flat angles P-C4'-P energy: -39.141 tors. eta vs tors. theta energy: -42.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -541.375078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.375078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.375078 (E_RNA) where: Base-Base interactions energy: -316.772 where: short stacking energy: -150.660 Base-Backbone interact. energy: 0.191 local terms energy: -224.794165 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -65.985 flat angles P-C4'-P energy: -26.102 tors. eta vs tors. theta energy: -19.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -507.506623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.506623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.506623 (E_RNA) where: Base-Base interactions energy: -303.985 where: short stacking energy: -165.251 Base-Backbone interact. energy: 1.227 local terms energy: -204.749057 where: bonds (distance) C4'-P energy: -48.590 bonds (distance) P-C4' energy: -48.930 flat angles C4'-P-C4' energy: -52.995 flat angles P-C4'-P energy: -32.190 tors. eta vs tors. theta energy: -22.044 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: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -464.236362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.236362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.236362 (E_RNA) where: Base-Base interactions energy: -258.595 where: short stacking energy: -158.242 Base-Backbone interact. energy: -0.023 local terms energy: -205.618586 where: bonds (distance) C4'-P energy: -46.016 bonds (distance) P-C4' energy: -62.940 flat angles C4'-P-C4' energy: -43.405 flat angles P-C4'-P energy: -33.389 tors. eta vs tors. theta energy: -19.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -296.934414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.934414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.934414 (E_RNA) where: Base-Base interactions energy: -109.154 where: short stacking energy: -98.674 Base-Backbone interact. energy: -0.467 local terms energy: -187.313662 where: bonds (distance) C4'-P energy: -56.132 bonds (distance) P-C4' energy: -59.572 flat angles C4'-P-C4' energy: -52.179 flat angles P-C4'-P energy: -26.575 tors. eta vs tors. theta energy: 7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -368.757218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.757218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.757218 (E_RNA) where: Base-Base interactions energy: -181.706 where: short stacking energy: -112.600 Base-Backbone interact. energy: 0.867 local terms energy: -187.918087 where: bonds (distance) C4'-P energy: -53.273 bonds (distance) P-C4' energy: -44.432 flat angles C4'-P-C4' energy: -49.984 flat angles P-C4'-P energy: -27.820 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -924.926337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.926337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.926337 (E_RNA) where: Base-Base interactions energy: -597.059 where: short stacking energy: -275.726 Base-Backbone interact. energy: 1.989 local terms energy: -329.856191 where: bonds (distance) C4'-P energy: -61.340 bonds (distance) P-C4' energy: -72.294 flat angles C4'-P-C4' energy: -75.401 flat angles P-C4'-P energy: -45.851 tors. eta vs tors. theta energy: -74.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -926.355893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.355893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.355893 (E_RNA) where: Base-Base interactions energy: -621.421 where: short stacking energy: -278.550 Base-Backbone interact. energy: 0.155 local terms energy: -305.089642 where: bonds (distance) C4'-P energy: -62.310 bonds (distance) P-C4' energy: -59.063 flat angles C4'-P-C4' energy: -64.777 flat angles P-C4'-P energy: -42.919 tors. eta vs tors. theta energy: -76.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -775.307140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.307140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.307140 (E_RNA) where: Base-Base interactions energy: -502.041 where: short stacking energy: -229.890 Base-Backbone interact. energy: -0.590 local terms energy: -272.675860 where: bonds (distance) C4'-P energy: -58.352 bonds (distance) P-C4' energy: -62.572 flat angles C4'-P-C4' energy: -63.530 flat angles P-C4'-P energy: -34.054 tors. eta vs tors. theta energy: -54.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -714.657680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.657680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.657680 (E_RNA) where: Base-Base interactions energy: -424.989 where: short stacking energy: -228.859 Base-Backbone interact. energy: -2.166 local terms energy: -287.503066 where: bonds (distance) C4'-P energy: -64.316 bonds (distance) P-C4' energy: -66.704 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -35.907 tors. eta vs tors. theta energy: -51.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -647.113766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.113766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.113766 (E_RNA) where: Base-Base interactions energy: -386.750 where: short stacking energy: -181.847 Base-Backbone interact. energy: -0.543 local terms energy: -259.820428 where: bonds (distance) C4'-P energy: -60.047 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -65.893 flat angles P-C4'-P energy: -36.164 tors. eta vs tors. theta energy: -33.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -622.839343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.839343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.839343 (E_RNA) where: Base-Base interactions energy: -376.204 where: short stacking energy: -186.376 Base-Backbone interact. energy: 0.375 local terms energy: -247.009514 where: bonds (distance) C4'-P energy: -61.716 bonds (distance) P-C4' energy: -57.682 flat angles C4'-P-C4' energy: -60.091 flat angles P-C4'-P energy: -36.640 tors. eta vs tors. theta energy: -30.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -496.693285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.693285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.693285 (E_RNA) where: Base-Base interactions energy: -260.935 where: short stacking energy: -140.239 Base-Backbone interact. energy: -1.503 local terms energy: -234.255667 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -51.105 flat angles C4'-P-C4' energy: -64.166 flat angles P-C4'-P energy: -32.923 tors. eta vs tors. theta energy: -23.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -525.392266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.392266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.392266 (E_RNA) where: Base-Base interactions energy: -300.410 where: short stacking energy: -134.811 Base-Backbone interact. energy: 1.722 local terms energy: -226.704560 where: bonds (distance) C4'-P energy: -53.302 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -60.810 flat angles P-C4'-P energy: -35.612 tors. eta vs tors. theta energy: -20.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -350.611852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.611852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.611852 (E_RNA) where: Base-Base interactions energy: -177.199 where: short stacking energy: -109.100 Base-Backbone interact. energy: 3.411 local terms energy: -176.824394 where: bonds (distance) C4'-P energy: -55.538 bonds (distance) P-C4' energy: -52.238 flat angles C4'-P-C4' energy: -47.496 flat angles P-C4'-P energy: -29.432 tors. eta vs tors. theta energy: 7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -269.633773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.633773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.633773 (E_RNA) where: Base-Base interactions energy: -99.367 where: short stacking energy: -84.835 Base-Backbone interact. energy: 1.727 local terms energy: -171.994129 where: bonds (distance) C4'-P energy: -55.012 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -47.809 flat angles P-C4'-P energy: -13.542 tors. eta vs tors. theta energy: 7.344 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: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -926.614776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.614776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.614776 (E_RNA) where: Base-Base interactions energy: -622.960 where: short stacking energy: -277.899 Base-Backbone interact. energy: -0.981 local terms energy: -302.673868 where: bonds (distance) C4'-P energy: -64.864 bonds (distance) P-C4' energy: -60.851 flat angles C4'-P-C4' energy: -64.860 flat angles P-C4'-P energy: -45.676 tors. eta vs tors. theta energy: -66.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -928.908088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.908088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.908088 (E_RNA) where: Base-Base interactions energy: -621.002 where: short stacking energy: -270.393 Base-Backbone interact. energy: 0.322 local terms energy: -308.227939 where: bonds (distance) C4'-P energy: -60.197 bonds (distance) P-C4' energy: -60.033 flat angles C4'-P-C4' energy: -67.247 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: -79.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -809.867287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.867287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.867287 (E_RNA) where: Base-Base interactions energy: -507.933 where: short stacking energy: -224.939 Base-Backbone interact. energy: -2.260 local terms energy: -299.674016 where: bonds (distance) C4'-P energy: -57.502 bonds (distance) P-C4' energy: -65.683 flat angles C4'-P-C4' energy: -72.630 flat angles P-C4'-P energy: -38.698 tors. eta vs tors. theta energy: -65.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -741.204651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.204651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.204651 (E_RNA) where: Base-Base interactions energy: -481.131 where: short stacking energy: -223.792 Base-Backbone interact. energy: 2.488 local terms energy: -262.561258 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -62.874 flat angles C4'-P-C4' energy: -56.731 flat angles P-C4'-P energy: -32.303 tors. eta vs tors. theta energy: -54.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -678.066949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.066949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.066949 (E_RNA) where: Base-Base interactions energy: -414.275 where: short stacking energy: -200.306 Base-Backbone interact. energy: -0.868 local terms energy: -262.923885 where: bonds (distance) C4'-P energy: -60.782 bonds (distance) P-C4' energy: -59.276 flat angles C4'-P-C4' energy: -64.011 flat angles P-C4'-P energy: -34.845 tors. eta vs tors. theta energy: -44.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -617.395025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.395025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.395025 (E_RNA) where: Base-Base interactions energy: -378.186 where: short stacking energy: -176.268 Base-Backbone interact. energy: -2.398 local terms energy: -236.811419 where: bonds (distance) C4'-P energy: -46.845 bonds (distance) P-C4' energy: -54.767 flat angles C4'-P-C4' energy: -64.568 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -33.549 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: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -549.753773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.753773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.753773 (E_RNA) where: Base-Base interactions energy: -324.970 where: short stacking energy: -156.241 Base-Backbone interact. energy: 2.164 local terms energy: -226.947422 where: bonds (distance) C4'-P energy: -46.596 bonds (distance) P-C4' energy: -65.196 flat angles C4'-P-C4' energy: -53.859 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: -26.845 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: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -523.850731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.850731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.850731 (E_RNA) where: Base-Base interactions energy: -311.090 where: short stacking energy: -150.974 Base-Backbone interact. energy: -0.268 local terms energy: -212.492010 where: bonds (distance) C4'-P energy: -68.270 bonds (distance) P-C4' energy: -54.078 flat angles C4'-P-C4' energy: -48.975 flat angles P-C4'-P energy: -24.390 tors. eta vs tors. theta energy: -16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -356.360064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.360064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.360064 (E_RNA) where: Base-Base interactions energy: -160.705 where: short stacking energy: -106.550 Base-Backbone interact. energy: -1.881 local terms energy: -193.774405 where: bonds (distance) C4'-P energy: -42.319 bonds (distance) P-C4' energy: -58.520 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -23.873 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -293.267527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.267527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.267527 (E_RNA) where: Base-Base interactions energy: -97.272 where: short stacking energy: -63.604 Base-Backbone interact. energy: 1.543 local terms energy: -197.538863 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -51.802 flat angles C4'-P-C4' energy: -58.623 flat angles P-C4'-P energy: -37.778 tors. eta vs tors. theta energy: 11.540 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: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -948.199629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.199629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.199629 (E_RNA) where: Base-Base interactions energy: -624.482 where: short stacking energy: -282.775 Base-Backbone interact. energy: -1.485 local terms energy: -322.232685 where: bonds (distance) C4'-P energy: -65.697 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -65.377 flat angles P-C4'-P energy: -43.378 tors. eta vs tors. theta energy: -82.342 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: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -895.957715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.957715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.957715 (E_RNA) where: Base-Base interactions energy: -604.861 where: short stacking energy: -278.024 Base-Backbone interact. energy: -2.082 local terms energy: -289.014881 where: bonds (distance) C4'-P energy: -60.580 bonds (distance) P-C4' energy: -57.618 flat angles C4'-P-C4' energy: -64.275 flat angles P-C4'-P energy: -49.060 tors. eta vs tors. theta energy: -57.482 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: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -832.433660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.433660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.433660 (E_RNA) where: Base-Base interactions energy: -526.315 where: short stacking energy: -231.246 Base-Backbone interact. energy: 2.222 local terms energy: -308.340820 where: bonds (distance) C4'-P energy: -65.343 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -51.876 tors. eta vs tors. theta energy: -60.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -782.521593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.521593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.521593 (E_RNA) where: Base-Base interactions energy: -518.631 where: short stacking energy: -224.803 Base-Backbone interact. energy: -1.137 local terms energy: -262.754031 where: bonds (distance) C4'-P energy: -52.956 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -57.361 flat angles P-C4'-P energy: -37.628 tors. eta vs tors. theta energy: -53.060 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: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -678.641580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.641580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.641580 (E_RNA) where: Base-Base interactions energy: -411.097 where: short stacking energy: -209.931 Base-Backbone interact. energy: -1.706 local terms energy: -265.838561 where: bonds (distance) C4'-P energy: -55.511 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -50.568 flat angles P-C4'-P energy: -44.213 tors. eta vs tors. theta energy: -56.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -630.514241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.514241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.514241 (E_RNA) where: Base-Base interactions energy: -392.914 where: short stacking energy: -194.372 Base-Backbone interact. energy: 0.960 local terms energy: -238.560207 where: bonds (distance) C4'-P energy: -47.899 bonds (distance) P-C4' energy: -56.780 flat angles C4'-P-C4' energy: -65.887 flat angles P-C4'-P energy: -31.452 tors. eta vs tors. theta energy: -36.543 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: 7, replica: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -543.022629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.022629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.022629 (E_RNA) where: Base-Base interactions energy: -312.507 where: short stacking energy: -176.549 Base-Backbone interact. energy: -0.099 local terms energy: -230.416686 where: bonds (distance) C4'-P energy: -50.003 bonds (distance) P-C4' energy: -59.123 flat angles C4'-P-C4' energy: -53.342 flat angles P-C4'-P energy: -32.309 tors. eta vs tors. theta energy: -35.640 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: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -552.847541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.847541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.847541 (E_RNA) where: Base-Base interactions energy: -312.659 where: short stacking energy: -170.694 Base-Backbone interact. energy: -0.868 local terms energy: -239.320686 where: bonds (distance) C4'-P energy: -55.004 bonds (distance) P-C4' energy: -63.010 flat angles C4'-P-C4' energy: -57.939 flat angles P-C4'-P energy: -26.386 tors. eta vs tors. theta energy: -36.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -374.956243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.956243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.956243 (E_RNA) where: Base-Base interactions energy: -176.239 where: short stacking energy: -113.594 Base-Backbone interact. energy: 1.503 local terms energy: -200.220155 where: bonds (distance) C4'-P energy: -51.083 bonds (distance) P-C4' energy: -57.972 flat angles C4'-P-C4' energy: -51.089 flat angles P-C4'-P energy: -28.095 tors. eta vs tors. theta energy: -11.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -314.038601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.038601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.038601 (E_RNA) where: Base-Base interactions energy: -133.618 where: short stacking energy: -86.345 Base-Backbone interact. energy: 0.767 local terms energy: -181.187463 where: bonds (distance) C4'-P energy: -61.514 bonds (distance) P-C4' energy: -57.267 flat angles C4'-P-C4' energy: -44.494 flat angles P-C4'-P energy: -33.151 tors. eta vs tors. theta energy: 15.238 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: 19 Temperature: 0.900000 Total energy: -962.407791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.407791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.407791 (E_RNA) where: Base-Base interactions energy: -639.615 where: short stacking energy: -276.640 Base-Backbone interact. energy: -1.005 local terms energy: -321.787722 where: bonds (distance) C4'-P energy: -52.019 bonds (distance) P-C4' energy: -69.299 flat angles C4'-P-C4' energy: -75.267 flat angles P-C4'-P energy: -47.858 tors. eta vs tors. theta energy: -77.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -893.413995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.413995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.413995 (E_RNA) where: Base-Base interactions energy: -590.295 where: short stacking energy: -256.285 Base-Backbone interact. energy: -1.687 local terms energy: -301.432014 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -67.441 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -58.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -809.973367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.973367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.973367 (E_RNA) where: Base-Base interactions energy: -505.616 where: short stacking energy: -235.499 Base-Backbone interact. energy: 0.537 local terms energy: -304.894620 where: bonds (distance) C4'-P energy: -78.541 bonds (distance) P-C4' energy: -65.705 flat angles C4'-P-C4' energy: -71.622 flat angles P-C4'-P energy: -37.370 tors. eta vs tors. theta energy: -51.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -748.126347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.126347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.126347 (E_RNA) where: Base-Base interactions energy: -465.932 where: short stacking energy: -227.729 Base-Backbone interact. energy: -1.545 local terms energy: -280.649593 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -55.555 flat angles C4'-P-C4' energy: -57.181 flat angles P-C4'-P energy: -42.562 tors. eta vs tors. theta energy: -62.323 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: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -684.293192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.293192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.293192 (E_RNA) where: Base-Base interactions energy: -429.100 where: short stacking energy: -191.349 Base-Backbone interact. energy: -1.216 local terms energy: -253.976377 where: bonds (distance) C4'-P energy: -48.751 bonds (distance) P-C4' energy: -60.092 flat angles C4'-P-C4' energy: -67.065 flat angles P-C4'-P energy: -41.083 tors. eta vs tors. theta energy: -36.985 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: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -581.391323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.391323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.391323 (E_RNA) where: Base-Base interactions energy: -349.866 where: short stacking energy: -193.315 Base-Backbone interact. energy: -1.480 local terms energy: -230.045717 where: bonds (distance) C4'-P energy: -49.205 bonds (distance) P-C4' energy: -55.498 flat angles C4'-P-C4' energy: -58.987 flat angles P-C4'-P energy: -36.018 tors. eta vs tors. theta energy: -30.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -526.787280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.787280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.787280 (E_RNA) where: Base-Base interactions energy: -307.828 where: short stacking energy: -149.788 Base-Backbone interact. energy: -0.874 local terms energy: -218.085097 where: bonds (distance) C4'-P energy: -52.021 bonds (distance) P-C4' energy: -57.475 flat angles C4'-P-C4' energy: -65.349 flat angles P-C4'-P energy: -30.098 tors. eta vs tors. theta energy: -13.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -561.464672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.464672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.464672 (E_RNA) where: Base-Base interactions energy: -329.514 where: short stacking energy: -161.665 Base-Backbone interact. energy: 0.516 local terms energy: -232.466267 where: bonds (distance) C4'-P energy: -55.053 bonds (distance) P-C4' energy: -64.901 flat angles C4'-P-C4' energy: -50.118 flat angles P-C4'-P energy: -37.360 tors. eta vs tors. theta energy: -25.035 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: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -368.152422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.152422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.152422 (E_RNA) where: Base-Base interactions energy: -166.717 where: short stacking energy: -121.259 Base-Backbone interact. energy: -0.728 local terms energy: -200.708218 where: bonds (distance) C4'-P energy: -57.174 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -44.318 flat angles P-C4'-P energy: -26.443 tors. eta vs tors. theta energy: -12.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -311.207941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.207941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.207941 (E_RNA) where: Base-Base interactions energy: -127.412 where: short stacking energy: -93.560 Base-Backbone interact. energy: 1.442 local terms energy: -185.237684 where: bonds (distance) C4'-P energy: -60.433 bonds (distance) P-C4' energy: -47.686 flat angles C4'-P-C4' energy: -55.333 flat angles P-C4'-P energy: -24.139 tors. eta vs tors. theta energy: 2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -937.854261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.854261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.854261 (E_RNA) where: Base-Base interactions energy: -639.037 where: short stacking energy: -286.965 Base-Backbone interact. energy: -1.309 local terms energy: -297.508014 where: bonds (distance) C4'-P energy: -56.927 bonds (distance) P-C4' energy: -55.838 flat angles C4'-P-C4' energy: -65.449 flat angles P-C4'-P energy: -50.203 tors. eta vs tors. theta energy: -69.090 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: 20 Temperature: 0.950000 Total energy: -951.537903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.537903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.537903 (E_RNA) where: Base-Base interactions energy: -649.364 where: short stacking energy: -281.748 Base-Backbone interact. energy: 0.741 local terms energy: -302.915208 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -64.814 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: -77.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -868.558989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.558989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.558989 (E_RNA) where: Base-Base interactions energy: -578.525 where: short stacking energy: -269.937 Base-Backbone interact. energy: -1.611 local terms energy: -288.423646 where: bonds (distance) C4'-P energy: -45.076 bonds (distance) P-C4' energy: -59.918 flat angles C4'-P-C4' energy: -74.411 flat angles P-C4'-P energy: -45.499 tors. eta vs tors. theta energy: -63.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -765.421215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.421215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.421215 (E_RNA) where: Base-Base interactions energy: -472.723 where: short stacking energy: -217.346 Base-Backbone interact. energy: -1.600 local terms energy: -291.098174 where: bonds (distance) C4'-P energy: -65.399 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -63.510 flat angles P-C4'-P energy: -34.342 tors. eta vs tors. theta energy: -58.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -742.826714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.826714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.826714 (E_RNA) where: Base-Base interactions energy: -464.861 where: short stacking energy: -199.663 Base-Backbone interact. energy: -1.865 local terms energy: -276.100904 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -60.529 flat angles C4'-P-C4' energy: -58.411 flat angles P-C4'-P energy: -45.214 tors. eta vs tors. theta energy: -51.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -565.902229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.902229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.902229 (E_RNA) where: Base-Base interactions energy: -343.467 where: short stacking energy: -175.027 Base-Backbone interact. energy: -1.577 local terms energy: -220.857529 where: bonds (distance) C4'-P energy: -50.293 bonds (distance) P-C4' energy: -48.927 flat angles C4'-P-C4' energy: -47.260 flat angles P-C4'-P energy: -41.753 tors. eta vs tors. theta energy: -32.624 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: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -538.267953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.267953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.267953 (E_RNA) where: Base-Base interactions energy: -299.651 where: short stacking energy: -153.012 Base-Backbone interact. energy: -1.952 local terms energy: -236.664492 where: bonds (distance) C4'-P energy: -55.532 bonds (distance) P-C4' energy: -67.261 flat angles C4'-P-C4' energy: -49.969 flat angles P-C4'-P energy: -34.550 tors. eta vs tors. theta energy: -29.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -493.846779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.846779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.846779 (E_RNA) where: Base-Base interactions energy: -270.313 where: short stacking energy: -127.253 Base-Backbone interact. energy: 1.754 local terms energy: -225.287488 where: bonds (distance) C4'-P energy: -57.314 bonds (distance) P-C4' energy: -66.062 flat angles C4'-P-C4' energy: -59.774 flat angles P-C4'-P energy: -23.542 tors. eta vs tors. theta energy: -18.596 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: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -335.920555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.920555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.920555 (E_RNA) where: Base-Base interactions energy: -141.995 where: short stacking energy: -106.310 Base-Backbone interact. energy: -0.864 local terms energy: -193.061914 where: bonds (distance) C4'-P energy: -57.288 bonds (distance) P-C4' energy: -55.881 flat angles C4'-P-C4' energy: -51.291 flat angles P-C4'-P energy: -22.621 tors. eta vs tors. theta energy: -5.981 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: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -333.015849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.015849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.015849 (E_RNA) where: Base-Base interactions energy: -158.555 where: short stacking energy: -102.858 Base-Backbone interact. energy: 1.395 local terms energy: -175.856535 where: bonds (distance) C4'-P energy: -49.220 bonds (distance) P-C4' energy: -73.088 flat angles C4'-P-C4' energy: -24.238 flat angles P-C4'-P energy: -32.100 tors. eta vs tors. theta energy: 2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -956.252082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.252082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.252082 (E_RNA) where: Base-Base interactions energy: -634.206 where: short stacking energy: -295.882 Base-Backbone interact. energy: -1.851 local terms energy: -320.194750 where: bonds (distance) C4'-P energy: -62.326 bonds (distance) P-C4' energy: -63.310 flat angles C4'-P-C4' energy: -75.803 flat angles P-C4'-P energy: -49.143 tors. eta vs tors. theta energy: -69.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -959.922678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.922678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.922678 (E_RNA) where: Base-Base interactions energy: -644.172 where: short stacking energy: -301.418 Base-Backbone interact. energy: -0.387 local terms energy: -315.363429 where: bonds (distance) C4'-P energy: -60.774 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -68.449 flat angles P-C4'-P energy: -28.656 tors. eta vs tors. theta energy: -89.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -845.790451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.790451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.790451 (E_RNA) where: Base-Base interactions energy: -552.472 where: short stacking energy: -279.608 Base-Backbone interact. energy: 2.379 local terms energy: -295.697367 where: bonds (distance) C4'-P energy: -60.064 bonds (distance) P-C4' energy: -66.427 flat angles C4'-P-C4' energy: -59.964 flat angles P-C4'-P energy: -33.310 tors. eta vs tors. theta energy: -75.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -775.734146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.734146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.734146 (E_RNA) where: Base-Base interactions energy: -503.957 where: short stacking energy: -216.615 Base-Backbone interact. energy: -1.852 local terms energy: -269.924377 where: bonds (distance) C4'-P energy: -58.609 bonds (distance) P-C4' energy: -58.719 flat angles C4'-P-C4' energy: -61.817 flat angles P-C4'-P energy: -43.672 tors. eta vs tors. theta energy: -47.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -774.136831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.136831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.136831 (E_RNA) where: Base-Base interactions energy: -480.623 where: short stacking energy: -235.418 Base-Backbone interact. energy: -1.061 local terms energy: -292.452787 where: bonds (distance) C4'-P energy: -64.859 bonds (distance) P-C4' energy: -62.329 flat angles C4'-P-C4' energy: -62.858 flat angles P-C4'-P energy: -36.566 tors. eta vs tors. theta energy: -65.840 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: 6, replica: 4 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -591.426121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.426121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.426121 (E_RNA) where: Base-Base interactions energy: -349.103 where: short stacking energy: -171.225 Base-Backbone interact. energy: -0.142 local terms energy: -242.181602 where: bonds (distance) C4'-P energy: -58.436 bonds (distance) P-C4' energy: -62.769 flat angles C4'-P-C4' energy: -50.377 flat angles P-C4'-P energy: -26.979 tors. eta vs tors. theta energy: -43.620 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: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -529.543504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.543504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.543504 (E_RNA) where: Base-Base interactions energy: -306.802 where: short stacking energy: -157.728 Base-Backbone interact. energy: 0.206 local terms energy: -222.947745 where: bonds (distance) C4'-P energy: -46.904 bonds (distance) P-C4' energy: -56.946 flat angles C4'-P-C4' energy: -69.084 flat angles P-C4'-P energy: -31.259 tors. eta vs tors. theta energy: -18.755 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: 1 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -505.455556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.455556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.455556 (E_RNA) where: Base-Base interactions energy: -297.940 where: short stacking energy: -160.287 Base-Backbone interact. energy: 0.013 local terms energy: -207.528007 where: bonds (distance) C4'-P energy: -61.017 bonds (distance) P-C4' energy: -34.517 flat angles C4'-P-C4' energy: -54.632 flat angles P-C4'-P energy: -32.186 tors. eta vs tors. theta energy: -25.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -304.051406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.051406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.051406 (E_RNA) where: Base-Base interactions energy: -109.042 where: short stacking energy: -103.533 Base-Backbone interact. energy: -0.501 local terms energy: -194.509032 where: bonds (distance) C4'-P energy: -46.910 bonds (distance) P-C4' energy: -60.802 flat angles C4'-P-C4' energy: -54.019 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -351.145946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.145946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.145946 (E_RNA) where: Base-Base interactions energy: -172.291 where: short stacking energy: -105.703 Base-Backbone interact. energy: -0.509 local terms energy: -178.345716 where: bonds (distance) C4'-P energy: -44.951 bonds (distance) P-C4' energy: -57.963 flat angles C4'-P-C4' energy: -46.301 flat angles P-C4'-P energy: -22.611 tors. eta vs tors. theta energy: -6.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -947.258571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.258571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.258571 (E_RNA) where: Base-Base interactions energy: -636.351 where: short stacking energy: -271.581 Base-Backbone interact. energy: -2.146 local terms energy: -308.761912 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -75.260 flat angles C4'-P-C4' energy: -64.631 flat angles P-C4'-P energy: -44.580 tors. eta vs tors. theta energy: -63.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -932.140865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.140865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.140865 (E_RNA) where: Base-Base interactions energy: -613.880 where: short stacking energy: -283.571 Base-Backbone interact. energy: -1.093 local terms energy: -317.167732 where: bonds (distance) C4'-P energy: -67.301 bonds (distance) P-C4' energy: -59.367 flat angles C4'-P-C4' energy: -68.654 flat angles P-C4'-P energy: -44.867 tors. eta vs tors. theta energy: -76.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -863.034534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.034534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.034534 (E_RNA) where: Base-Base interactions energy: -541.707 where: short stacking energy: -250.197 Base-Backbone interact. energy: -2.320 local terms energy: -319.007792 where: bonds (distance) C4'-P energy: -69.725 bonds (distance) P-C4' energy: -63.370 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -43.753 tors. eta vs tors. theta energy: -69.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -771.226219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.226219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.226219 (E_RNA) where: Base-Base interactions energy: -492.033 where: short stacking energy: -221.586 Base-Backbone interact. energy: 0.514 local terms energy: -279.707391 where: bonds (distance) C4'-P energy: -67.411 bonds (distance) P-C4' energy: -51.087 flat angles C4'-P-C4' energy: -72.002 flat angles P-C4'-P energy: -37.442 tors. eta vs tors. theta energy: -51.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -739.291911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.291911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.291911 (E_RNA) where: Base-Base interactions energy: -476.538 where: short stacking energy: -220.795 Base-Backbone interact. energy: -1.240 local terms energy: -261.514291 where: bonds (distance) C4'-P energy: -69.197 bonds (distance) P-C4' energy: -55.260 flat angles C4'-P-C4' energy: -52.379 flat angles P-C4'-P energy: -31.993 tors. eta vs tors. theta energy: -52.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -578.092278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.092278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.092278 (E_RNA) where: Base-Base interactions energy: -341.906 where: short stacking energy: -190.776 Base-Backbone interact. energy: -0.726 local terms energy: -235.460390 where: bonds (distance) C4'-P energy: -56.613 bonds (distance) P-C4' energy: -59.315 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -32.849 tors. eta vs tors. theta energy: -20.802 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: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -566.492252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.492252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.492252 (E_RNA) where: Base-Base interactions energy: -340.189 where: short stacking energy: -164.690 Base-Backbone interact. energy: -1.526 local terms energy: -224.776779 where: bonds (distance) C4'-P energy: -59.064 bonds (distance) P-C4' energy: -65.350 flat angles C4'-P-C4' energy: -43.211 flat angles P-C4'-P energy: -32.088 tors. eta vs tors. theta energy: -25.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -494.900508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.900508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.900508 (E_RNA) where: Base-Base interactions energy: -287.373 where: short stacking energy: -156.090 Base-Backbone interact. energy: 3.148 local terms energy: -210.674911 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -54.076 flat angles C4'-P-C4' energy: -46.491 flat angles P-C4'-P energy: -32.589 tors. eta vs tors. theta energy: -19.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -303.094749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.094749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.094749 (E_RNA) where: Base-Base interactions energy: -124.671 where: short stacking energy: -73.433 Base-Backbone interact. energy: 0.040 local terms energy: -178.463962 where: bonds (distance) C4'-P energy: -57.264 bonds (distance) P-C4' energy: -56.642 flat angles C4'-P-C4' energy: -41.824 flat angles P-C4'-P energy: -18.937 tors. eta vs tors. theta energy: -3.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -255.378715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.378715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.378715 (E_RNA) where: Base-Base interactions energy: -93.866 where: short stacking energy: -78.880 Base-Backbone interact. energy: -1.534 local terms energy: -159.978622 where: bonds (distance) C4'-P energy: -47.949 bonds (distance) P-C4' energy: -54.792 flat angles C4'-P-C4' energy: -36.251 flat angles P-C4'-P energy: -25.157 tors. eta vs tors. theta energy: 4.170 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: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -930.577687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.577687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.577687 (E_RNA) where: Base-Base interactions energy: -642.317 where: short stacking energy: -265.754 Base-Backbone interact. energy: 1.535 local terms energy: -289.795575 where: bonds (distance) C4'-P energy: -61.750 bonds (distance) P-C4' energy: -67.750 flat angles C4'-P-C4' energy: -67.693 flat angles P-C4'-P energy: -32.071 tors. eta vs tors. theta energy: -60.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -946.277234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.277234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.277234 (E_RNA) where: Base-Base interactions energy: -634.370 where: short stacking energy: -268.661 Base-Backbone interact. energy: -1.218 local terms energy: -310.689460 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -65.044 flat angles C4'-P-C4' energy: -66.453 flat angles P-C4'-P energy: -42.646 tors. eta vs tors. theta energy: -71.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -855.407809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.407809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.407809 (E_RNA) where: Base-Base interactions energy: -561.209 where: short stacking energy: -236.004 Base-Backbone interact. energy: -1.582 local terms energy: -292.616613 where: bonds (distance) C4'-P energy: -67.798 bonds (distance) P-C4' energy: -58.663 flat angles C4'-P-C4' energy: -60.054 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -68.287 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: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -788.705125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.705125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.705125 (E_RNA) where: Base-Base interactions energy: -486.397 where: short stacking energy: -249.147 Base-Backbone interact. energy: -0.723 local terms energy: -301.585333 where: bonds (distance) C4'-P energy: -60.898 bonds (distance) P-C4' energy: -58.388 flat angles C4'-P-C4' energy: -62.236 flat angles P-C4'-P energy: -40.795 tors. eta vs tors. theta energy: -79.268 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: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -734.054831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.054831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.054831 (E_RNA) where: Base-Base interactions energy: -448.992 where: short stacking energy: -189.269 Base-Backbone interact. energy: -3.006 local terms energy: -282.056931 where: bonds (distance) C4'-P energy: -61.316 bonds (distance) P-C4' energy: -66.868 flat angles C4'-P-C4' energy: -62.203 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -44.266 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: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -504.964656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.964656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.964656 (E_RNA) where: Base-Base interactions energy: -282.139 where: short stacking energy: -151.784 Base-Backbone interact. energy: 0.377 local terms energy: -223.201901 where: bonds (distance) C4'-P energy: -57.043 bonds (distance) P-C4' energy: -58.215 flat angles C4'-P-C4' energy: -51.319 flat angles P-C4'-P energy: -30.307 tors. eta vs tors. theta energy: -26.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -567.426704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.426704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.426704 (E_RNA) where: Base-Base interactions energy: -331.709 where: short stacking energy: -171.529 Base-Backbone interact. energy: -2.002 local terms energy: -233.715743 where: bonds (distance) C4'-P energy: -44.924 bonds (distance) P-C4' energy: -54.933 flat angles C4'-P-C4' energy: -62.315 flat angles P-C4'-P energy: -42.435 tors. eta vs tors. theta energy: -29.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -558.528837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.528837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.528837 (E_RNA) where: Base-Base interactions energy: -322.343 where: short stacking energy: -156.987 Base-Backbone interact. energy: -1.397 local terms energy: -234.788242 where: bonds (distance) C4'-P energy: -56.864 bonds (distance) P-C4' energy: -63.157 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -36.733 tors. eta vs tors. theta energy: -19.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -343.441351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.441351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.441351 (E_RNA) where: Base-Base interactions energy: -163.302 where: short stacking energy: -108.646 Base-Backbone interact. energy: 1.283 local terms energy: -181.422424 where: bonds (distance) C4'-P energy: -47.023 bonds (distance) P-C4' energy: -60.372 flat angles C4'-P-C4' energy: -43.289 flat angles P-C4'-P energy: -30.321 tors. eta vs tors. theta energy: -0.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -297.427198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.427198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.427198 (E_RNA) where: Base-Base interactions energy: -129.409 where: short stacking energy: -86.900 Base-Backbone interact. energy: -1.213 local terms energy: -166.804880 where: bonds (distance) C4'-P energy: -42.645 bonds (distance) P-C4' energy: -49.452 flat angles C4'-P-C4' energy: -54.999 flat angles P-C4'-P energy: -27.240 tors. eta vs tors. theta energy: 7.531 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: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -929.205982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.205982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.205982 (E_RNA) where: Base-Base interactions energy: -608.908 where: short stacking energy: -294.182 Base-Backbone interact. energy: -0.382 local terms energy: -319.916018 where: bonds (distance) C4'-P energy: -64.173 bonds (distance) P-C4' energy: -64.896 flat angles C4'-P-C4' energy: -68.317 flat angles P-C4'-P energy: -48.736 tors. eta vs tors. theta energy: -73.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -928.747679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.747679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.747679 (E_RNA) where: Base-Base interactions energy: -633.749 where: short stacking energy: -275.777 Base-Backbone interact. energy: -1.455 local terms energy: -293.543104 where: bonds (distance) C4'-P energy: -54.273 bonds (distance) P-C4' energy: -60.756 flat angles C4'-P-C4' energy: -63.380 flat angles P-C4'-P energy: -47.948 tors. eta vs tors. theta energy: -67.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -837.093723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.093723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.093723 (E_RNA) where: Base-Base interactions energy: -550.162 where: short stacking energy: -225.033 Base-Backbone interact. energy: -3.517 local terms energy: -283.414427 where: bonds (distance) C4'-P energy: -68.962 bonds (distance) P-C4' energy: -68.792 flat angles C4'-P-C4' energy: -52.508 flat angles P-C4'-P energy: -31.454 tors. eta vs tors. theta energy: -61.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -770.246342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.246342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.246342 (E_RNA) where: Base-Base interactions energy: -476.651 where: short stacking energy: -253.284 Base-Backbone interact. energy: -1.130 local terms energy: -292.465775 where: bonds (distance) C4'-P energy: -65.154 bonds (distance) P-C4' energy: -52.272 flat angles C4'-P-C4' energy: -69.548 flat angles P-C4'-P energy: -35.608 tors. eta vs tors. theta energy: -69.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -740.149961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.149961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.149961 (E_RNA) where: Base-Base interactions energy: -485.228 where: short stacking energy: -195.752 Base-Backbone interact. energy: -2.182 local terms energy: -252.740207 where: bonds (distance) C4'-P energy: -61.226 bonds (distance) P-C4' energy: -64.545 flat angles C4'-P-C4' energy: -49.522 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: -40.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -516.586402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.586402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.586402 (E_RNA) where: Base-Base interactions energy: -282.133 where: short stacking energy: -154.043 Base-Backbone interact. energy: -0.400 local terms energy: -234.052573 where: bonds (distance) C4'-P energy: -55.921 bonds (distance) P-C4' energy: -57.776 flat angles C4'-P-C4' energy: -56.662 flat angles P-C4'-P energy: -44.299 tors. eta vs tors. theta energy: -19.394 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: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -579.360547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.360547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.360547 (E_RNA) where: Base-Base interactions energy: -355.005 where: short stacking energy: -175.990 Base-Backbone interact. energy: 2.823 local terms energy: -227.178648 where: bonds (distance) C4'-P energy: -57.304 bonds (distance) P-C4' energy: -51.139 flat angles C4'-P-C4' energy: -57.409 flat angles P-C4'-P energy: -33.818 tors. eta vs tors. theta energy: -27.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -515.353596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.353596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.353596 (E_RNA) where: Base-Base interactions energy: -299.708 where: short stacking energy: -151.413 Base-Backbone interact. energy: -1.785 local terms energy: -213.860327 where: bonds (distance) C4'-P energy: -51.413 bonds (distance) P-C4' energy: -57.794 flat angles C4'-P-C4' energy: -56.765 flat angles P-C4'-P energy: -25.545 tors. eta vs tors. theta energy: -22.343 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: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -296.829261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.829261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.829261 (E_RNA) where: Base-Base interactions energy: -128.983 where: short stacking energy: -78.461 Base-Backbone interact. energy: -1.824 local terms energy: -166.022756 where: bonds (distance) C4'-P energy: -50.171 bonds (distance) P-C4' energy: -50.856 flat angles C4'-P-C4' energy: -52.431 flat angles P-C4'-P energy: -27.619 tors. eta vs tors. theta energy: 15.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -306.277557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.277557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.277557 (E_RNA) where: Base-Base interactions energy: -140.655 where: short stacking energy: -97.200 Base-Backbone interact. energy: -1.365 local terms energy: -164.257093 where: bonds (distance) C4'-P energy: -37.312 bonds (distance) P-C4' energy: -54.726 flat angles C4'-P-C4' energy: -51.493 flat angles P-C4'-P energy: -28.396 tors. eta vs tors. theta energy: 7.670 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: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -950.522291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.522291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.522291 (E_RNA) where: Base-Base interactions energy: -631.168 where: short stacking energy: -283.413 Base-Backbone interact. energy: -1.969 local terms energy: -317.384820 where: bonds (distance) C4'-P energy: -70.163 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -73.463 flat angles P-C4'-P energy: -43.363 tors. eta vs tors. theta energy: -67.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -963.442063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.442063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.442063 (E_RNA) where: Base-Base interactions energy: -639.177 where: short stacking energy: -276.068 Base-Backbone interact. energy: -1.023 local terms energy: -323.241973 where: bonds (distance) C4'-P energy: -65.666 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -70.754 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -76.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -883.342259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.342259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.342259 (E_RNA) where: Base-Base interactions energy: -583.947 where: short stacking energy: -254.895 Base-Backbone interact. energy: 2.903 local terms energy: -302.298843 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -65.319 flat angles C4'-P-C4' energy: -59.346 flat angles P-C4'-P energy: -47.867 tors. eta vs tors. theta energy: -73.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -745.489467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.489467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.489467 (E_RNA) where: Base-Base interactions energy: -474.036 where: short stacking energy: -221.310 Base-Backbone interact. energy: 0.842 local terms energy: -272.295634 where: bonds (distance) C4'-P energy: -56.776 bonds (distance) P-C4' energy: -54.811 flat angles C4'-P-C4' energy: -70.573 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -51.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -760.898075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.898075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.898075 (E_RNA) where: Base-Base interactions energy: -480.994 where: short stacking energy: -257.586 Base-Backbone interact. energy: 0.635 local terms energy: -280.539314 where: bonds (distance) C4'-P energy: -57.534 bonds (distance) P-C4' energy: -56.836 flat angles C4'-P-C4' energy: -56.460 flat angles P-C4'-P energy: -47.217 tors. eta vs tors. theta energy: -62.494 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: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -558.801538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.801538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.801538 (E_RNA) where: Base-Base interactions energy: -333.510 where: short stacking energy: -176.540 Base-Backbone interact. energy: 0.610 local terms energy: -225.901127 where: bonds (distance) C4'-P energy: -50.752 bonds (distance) P-C4' energy: -73.318 flat angles C4'-P-C4' energy: -51.411 flat angles P-C4'-P energy: -26.946 tors. eta vs tors. theta energy: -23.475 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: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -567.883601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.883601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.883601 (E_RNA) where: Base-Base interactions energy: -333.062 where: short stacking energy: -180.261 Base-Backbone interact. energy: 0.136 local terms energy: -234.958107 where: bonds (distance) C4'-P energy: -54.074 bonds (distance) P-C4' energy: -65.034 flat angles C4'-P-C4' energy: -57.714 flat angles P-C4'-P energy: -33.167 tors. eta vs tors. theta energy: -24.969 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: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -435.883451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.883451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.883451 (E_RNA) where: Base-Base interactions energy: -222.494 where: short stacking energy: -129.753 Base-Backbone interact. energy: -0.171 local terms energy: -213.217740 where: bonds (distance) C4'-P energy: -46.175 bonds (distance) P-C4' energy: -55.240 flat angles C4'-P-C4' energy: -59.065 flat angles P-C4'-P energy: -38.115 tors. eta vs tors. theta energy: -14.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -285.950171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.950171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.950171 (E_RNA) where: Base-Base interactions energy: -97.912 where: short stacking energy: -92.877 Base-Backbone interact. energy: -0.580 local terms energy: -187.457912 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -61.640 flat angles C4'-P-C4' energy: -43.519 flat angles P-C4'-P energy: -26.139 tors. eta vs tors. theta energy: 2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -272.379821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.379821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.379821 (E_RNA) where: Base-Base interactions energy: -95.377 where: short stacking energy: -79.371 Base-Backbone interact. energy: 0.072 local terms energy: -177.074763 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -45.942 flat angles C4'-P-C4' energy: -45.796 flat angles P-C4'-P energy: -27.458 tors. eta vs tors. theta energy: 2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -989.530760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.530760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.530760 (E_RNA) where: Base-Base interactions energy: -679.060 where: short stacking energy: -302.660 Base-Backbone interact. energy: -1.873 local terms energy: -308.597048 where: bonds (distance) C4'-P energy: -63.234 bonds (distance) P-C4' energy: -66.959 flat angles C4'-P-C4' energy: -69.686 flat angles P-C4'-P energy: -40.342 tors. eta vs tors. theta energy: -68.375 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: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -901.480624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.480624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.480624 (E_RNA) where: Base-Base interactions energy: -596.432 where: short stacking energy: -275.767 Base-Backbone interact. energy: -3.271 local terms energy: -301.777959 where: bonds (distance) C4'-P energy: -66.280 bonds (distance) P-C4' energy: -55.861 flat angles C4'-P-C4' energy: -69.440 flat angles P-C4'-P energy: -40.040 tors. eta vs tors. theta energy: -70.157 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: 6 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -879.611037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.611037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.611037 (E_RNA) where: Base-Base interactions energy: -573.200 where: short stacking energy: -234.225 Base-Backbone interact. energy: -0.125 local terms energy: -306.286381 where: bonds (distance) C4'-P energy: -57.933 bonds (distance) P-C4' energy: -67.162 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -48.693 tors. eta vs tors. theta energy: -66.046 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: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -752.354651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.354651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.354651 (E_RNA) where: Base-Base interactions energy: -474.060 where: short stacking energy: -221.457 Base-Backbone interact. energy: -0.737 local terms energy: -277.558409 where: bonds (distance) C4'-P energy: -67.532 bonds (distance) P-C4' energy: -63.276 flat angles C4'-P-C4' energy: -54.079 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -49.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -710.088468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.088468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.088468 (E_RNA) where: Base-Base interactions energy: -426.907 where: short stacking energy: -184.386 Base-Backbone interact. energy: -1.543 local terms energy: -281.637901 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -64.912 flat angles C4'-P-C4' energy: -53.815 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -59.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -543.871764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.871764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.871764 (E_RNA) where: Base-Base interactions energy: -294.941 where: short stacking energy: -167.532 Base-Backbone interact. energy: -1.134 local terms energy: -247.796972 where: bonds (distance) C4'-P energy: -60.050 bonds (distance) P-C4' energy: -60.427 flat angles C4'-P-C4' energy: -52.354 flat angles P-C4'-P energy: -35.121 tors. eta vs tors. theta energy: -39.846 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: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -572.977111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.977111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.977111 (E_RNA) where: Base-Base interactions energy: -325.168 where: short stacking energy: -165.339 Base-Backbone interact. energy: -0.867 local terms energy: -246.942715 where: bonds (distance) C4'-P energy: -59.560 bonds (distance) P-C4' energy: -62.376 flat angles C4'-P-C4' energy: -49.766 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: -40.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -377.084796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.084796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.084796 (E_RNA) where: Base-Base interactions energy: -170.255 where: short stacking energy: -98.558 Base-Backbone interact. energy: 3.571 local terms energy: -210.400384 where: bonds (distance) C4'-P energy: -54.871 bonds (distance) P-C4' energy: -50.953 flat angles C4'-P-C4' energy: -55.155 flat angles P-C4'-P energy: -39.428 tors. eta vs tors. theta energy: -9.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -308.302525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.302525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.302525 (E_RNA) where: Base-Base interactions energy: -122.271 where: short stacking energy: -91.001 Base-Backbone interact. energy: -0.549 local terms energy: -185.482790 where: bonds (distance) C4'-P energy: -55.370 bonds (distance) P-C4' energy: -63.502 flat angles C4'-P-C4' energy: -37.496 flat angles P-C4'-P energy: -24.167 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -318.927795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.927795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.927795 (E_RNA) where: Base-Base interactions energy: -133.340 where: short stacking energy: -120.405 Base-Backbone interact. energy: -0.420 local terms energy: -185.167640 where: bonds (distance) C4'-P energy: -45.486 bonds (distance) P-C4' energy: -52.954 flat angles C4'-P-C4' energy: -52.255 flat angles P-C4'-P energy: -29.053 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1007.258643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.258643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.258643 (E_RNA) where: Base-Base interactions energy: -683.192 where: short stacking energy: -289.284 Base-Backbone interact. energy: 2.825 local terms energy: -326.891068 where: bonds (distance) C4'-P energy: -69.849 bonds (distance) P-C4' energy: -64.505 flat angles C4'-P-C4' energy: -68.067 flat angles P-C4'-P energy: -53.007 tors. eta vs tors. theta energy: -71.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -902.096339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.096339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.096339 (E_RNA) where: Base-Base interactions energy: -594.209 where: short stacking energy: -271.538 Base-Backbone interact. energy: 1.288 local terms energy: -309.174402 where: bonds (distance) C4'-P energy: -46.659 bonds (distance) P-C4' energy: -69.239 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -55.112 tors. eta vs tors. theta energy: -67.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -889.477956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.477956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.477956 (E_RNA) where: Base-Base interactions energy: -590.170 where: short stacking energy: -272.623 Base-Backbone interact. energy: -1.567 local terms energy: -297.741318 where: bonds (distance) C4'-P energy: -53.397 bonds (distance) P-C4' energy: -66.475 flat angles C4'-P-C4' energy: -67.816 flat angles P-C4'-P energy: -37.989 tors. eta vs tors. theta energy: -72.065 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: 27 Temperature: 1.050000 Total energy: -804.025171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.025171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.025171 (E_RNA) where: Base-Base interactions energy: -515.215 where: short stacking energy: -227.721 Base-Backbone interact. energy: 6.295 local terms energy: -295.105610 where: bonds (distance) C4'-P energy: -56.938 bonds (distance) P-C4' energy: -59.561 flat angles C4'-P-C4' energy: -66.931 flat angles P-C4'-P energy: -48.084 tors. eta vs tors. theta energy: -63.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -706.949165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.949165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.949165 (E_RNA) where: Base-Base interactions energy: -437.720 where: short stacking energy: -208.443 Base-Backbone interact. energy: -0.816 local terms energy: -268.412829 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -52.641 flat angles C4'-P-C4' energy: -55.882 flat angles P-C4'-P energy: -39.335 tors. eta vs tors. theta energy: -54.783 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: 27 Temperature: 1.150000 Total energy: -621.295437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.295437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.295437 (E_RNA) where: Base-Base interactions energy: -362.974 where: short stacking energy: -181.590 Base-Backbone interact. energy: -0.243 local terms energy: -258.078545 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -58.773 flat angles C4'-P-C4' energy: -62.570 flat angles P-C4'-P energy: -33.433 tors. eta vs tors. theta energy: -38.828 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: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -504.889410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.889410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.889410 (E_RNA) where: Base-Base interactions energy: -287.908 where: short stacking energy: -156.818 Base-Backbone interact. energy: -1.292 local terms energy: -215.689505 where: bonds (distance) C4'-P energy: -50.498 bonds (distance) P-C4' energy: -62.098 flat angles C4'-P-C4' energy: -55.748 flat angles P-C4'-P energy: -32.833 tors. eta vs tors. theta energy: -14.512 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: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -358.963901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.963901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.963901 (E_RNA) where: Base-Base interactions energy: -150.357 where: short stacking energy: -93.694 Base-Backbone interact. energy: 2.261 local terms energy: -210.868417 where: bonds (distance) C4'-P energy: -56.054 bonds (distance) P-C4' energy: -55.532 flat angles C4'-P-C4' energy: -55.596 flat angles P-C4'-P energy: -33.991 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -313.081336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.081336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.081336 (E_RNA) where: Base-Base interactions energy: -122.782 where: short stacking energy: -98.224 Base-Backbone interact. energy: -1.054 local terms energy: -189.245247 where: bonds (distance) C4'-P energy: -51.310 bonds (distance) P-C4' energy: -49.717 flat angles C4'-P-C4' energy: -50.020 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: -0.572 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: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -274.182048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.182048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.182048 (E_RNA) where: Base-Base interactions energy: -107.310 where: short stacking energy: -89.030 Base-Backbone interact. energy: -0.927 local terms energy: -165.944692 where: bonds (distance) C4'-P energy: -44.206 bonds (distance) P-C4' energy: -57.778 flat angles C4'-P-C4' energy: -50.121 flat angles P-C4'-P energy: -28.764 tors. eta vs tors. theta energy: 14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1001.945788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.945788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.945788 (E_RNA) where: Base-Base interactions energy: -675.883 where: short stacking energy: -286.128 Base-Backbone interact. energy: -1.878 local terms energy: -324.185602 where: bonds (distance) C4'-P energy: -57.769 bonds (distance) P-C4' energy: -64.690 flat angles C4'-P-C4' energy: -67.378 flat angles P-C4'-P energy: -55.629 tors. eta vs tors. theta energy: -78.720 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: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -912.447715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.447715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.447715 (E_RNA) where: Base-Base interactions energy: -602.235 where: short stacking energy: -278.913 Base-Backbone interact. energy: 0.786 local terms energy: -310.998932 where: bonds (distance) C4'-P energy: -59.056 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -76.525 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: -73.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -886.302038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.302038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.302038 (E_RNA) where: Base-Base interactions energy: -583.896 where: short stacking energy: -241.431 Base-Backbone interact. energy: 2.431 local terms energy: -304.836870 where: bonds (distance) C4'-P energy: -60.588 bonds (distance) P-C4' energy: -66.565 flat angles C4'-P-C4' energy: -71.304 flat angles P-C4'-P energy: -42.909 tors. eta vs tors. theta energy: -63.471 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: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -792.529117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.529117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.529117 (E_RNA) where: Base-Base interactions energy: -497.859 where: short stacking energy: -261.072 Base-Backbone interact. energy: -1.383 local terms energy: -293.287244 where: bonds (distance) C4'-P energy: -56.365 bonds (distance) P-C4' energy: -68.395 flat angles C4'-P-C4' energy: -61.199 flat angles P-C4'-P energy: -41.566 tors. eta vs tors. theta energy: -65.763 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: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -709.015233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.015233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.015233 (E_RNA) where: Base-Base interactions energy: -422.281 where: short stacking energy: -203.663 Base-Backbone interact. energy: -1.168 local terms energy: -285.565941 where: bonds (distance) C4'-P energy: -61.167 bonds (distance) P-C4' energy: -64.095 flat angles C4'-P-C4' energy: -68.871 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -42.315 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: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -619.992191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.992191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.992191 (E_RNA) where: Base-Base interactions energy: -373.346 where: short stacking energy: -199.623 Base-Backbone interact. energy: -0.209 local terms energy: -246.436503 where: bonds (distance) C4'-P energy: -45.202 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -66.030 flat angles P-C4'-P energy: -34.519 tors. eta vs tors. theta energy: -41.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -484.082783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.082783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.082783 (E_RNA) where: Base-Base interactions energy: -277.293 where: short stacking energy: -144.812 Base-Backbone interact. energy: 5.318 local terms energy: -212.107772 where: bonds (distance) C4'-P energy: -46.403 bonds (distance) P-C4' energy: -64.353 flat angles C4'-P-C4' energy: -47.687 flat angles P-C4'-P energy: -34.680 tors. eta vs tors. theta energy: -18.983 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: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -327.471754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.471754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.471754 (E_RNA) where: Base-Base interactions energy: -160.039 where: short stacking energy: -123.463 Base-Backbone interact. energy: 1.088 local terms energy: -168.520196 where: bonds (distance) C4'-P energy: -43.752 bonds (distance) P-C4' energy: -52.543 flat angles C4'-P-C4' energy: -46.052 flat angles P-C4'-P energy: -19.909 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -329.427899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.427899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.427899 (E_RNA) where: Base-Base interactions energy: -130.908 where: short stacking energy: -95.336 Base-Backbone interact. energy: 1.279 local terms energy: -199.799201 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -53.876 flat angles C4'-P-C4' energy: -45.837 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: -8.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -282.131759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.131759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.131759 (E_RNA) where: Base-Base interactions energy: -100.041 where: short stacking energy: -85.941 Base-Backbone interact. energy: 0.302 local terms energy: -182.392134 where: bonds (distance) C4'-P energy: -57.381 bonds (distance) P-C4' energy: -49.545 flat angles C4'-P-C4' energy: -41.313 flat angles P-C4'-P energy: -33.904 tors. eta vs tors. theta energy: -0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1008.271172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.271172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.271172 (E_RNA) where: Base-Base interactions energy: -687.557 where: short stacking energy: -302.431 Base-Backbone interact. energy: -2.063 local terms energy: -318.651464 where: bonds (distance) C4'-P energy: -55.297 bonds (distance) P-C4' energy: -66.791 flat angles C4'-P-C4' energy: -71.716 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -84.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -920.629593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.629593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.629593 (E_RNA) where: Base-Base interactions energy: -621.100 where: short stacking energy: -275.821 Base-Backbone interact. energy: -1.642 local terms energy: -297.887137 where: bonds (distance) C4'-P energy: -63.612 bonds (distance) P-C4' energy: -50.005 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -70.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -875.145275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.145275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.145275 (E_RNA) where: Base-Base interactions energy: -586.392 where: short stacking energy: -265.846 Base-Backbone interact. energy: -0.812 local terms energy: -287.941438 where: bonds (distance) C4'-P energy: -66.896 bonds (distance) P-C4' energy: -55.064 flat angles C4'-P-C4' energy: -65.878 flat angles P-C4'-P energy: -43.348 tors. eta vs tors. theta energy: -56.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -817.413733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.413733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.413733 (E_RNA) where: Base-Base interactions energy: -507.801 where: short stacking energy: -229.895 Base-Backbone interact. energy: 0.140 local terms energy: -309.752873 where: bonds (distance) C4'-P energy: -61.155 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -64.275 flat angles P-C4'-P energy: -50.142 tors. eta vs tors. theta energy: -72.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -715.114235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.114235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.114235 (E_RNA) where: Base-Base interactions energy: -459.560 where: short stacking energy: -236.580 Base-Backbone interact. energy: -1.344 local terms energy: -254.210654 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -42.223 flat angles C4'-P-C4' energy: -61.863 flat angles P-C4'-P energy: -41.819 tors. eta vs tors. theta energy: -48.811 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: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -612.952425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.952425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.952425 (E_RNA) where: Base-Base interactions energy: -352.940 where: short stacking energy: -181.197 Base-Backbone interact. energy: 0.754 local terms energy: -260.765931 where: bonds (distance) C4'-P energy: -51.908 bonds (distance) P-C4' energy: -69.925 flat angles C4'-P-C4' energy: -47.194 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -47.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -486.926585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.926585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.926585 (E_RNA) where: Base-Base interactions energy: -269.151 where: short stacking energy: -142.266 Base-Backbone interact. energy: -0.397 local terms energy: -217.379131 where: bonds (distance) C4'-P energy: -49.648 bonds (distance) P-C4' energy: -46.809 flat angles C4'-P-C4' energy: -54.271 flat angles P-C4'-P energy: -41.706 tors. eta vs tors. theta energy: -24.945 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: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -331.478863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.478863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.478863 (E_RNA) where: Base-Base interactions energy: -135.429 where: short stacking energy: -108.945 Base-Backbone interact. energy: -1.186 local terms energy: -194.863497 where: bonds (distance) C4'-P energy: -49.116 bonds (distance) P-C4' energy: -54.999 flat angles C4'-P-C4' energy: -42.748 flat angles P-C4'-P energy: -30.968 tors. eta vs tors. theta energy: -17.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -301.717310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.717310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.717310 (E_RNA) where: Base-Base interactions energy: -126.106 where: short stacking energy: -103.334 Base-Backbone interact. energy: 1.051 local terms energy: -176.662460 where: bonds (distance) C4'-P energy: -50.037 bonds (distance) P-C4' energy: -59.749 flat angles C4'-P-C4' energy: -43.563 flat angles P-C4'-P energy: -16.879 tors. eta vs tors. theta energy: -6.434 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: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -292.158114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.158114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.158114 (E_RNA) where: Base-Base interactions energy: -104.760 where: short stacking energy: -82.824 Base-Backbone interact. energy: 0.481 local terms energy: -187.878959 where: bonds (distance) C4'-P energy: -54.353 bonds (distance) P-C4' energy: -50.195 flat angles C4'-P-C4' energy: -53.965 flat angles P-C4'-P energy: -31.146 tors. eta vs tors. theta energy: 1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1019.816485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.816485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.816485 (E_RNA) where: Base-Base interactions energy: -681.416 where: short stacking energy: -295.549 Base-Backbone interact. energy: -0.569 local terms energy: -337.830851 where: bonds (distance) C4'-P energy: -68.209 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -72.079 flat angles P-C4'-P energy: -53.842 tors. eta vs tors. theta energy: -82.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -937.005340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.005340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.005340 (E_RNA) where: Base-Base interactions energy: -631.764 where: short stacking energy: -268.527 Base-Backbone interact. energy: 2.121 local terms energy: -307.361789 where: bonds (distance) C4'-P energy: -58.218 bonds (distance) P-C4' energy: -73.176 flat angles C4'-P-C4' energy: -66.656 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -67.420 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: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -883.594138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.594138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.594138 (E_RNA) where: Base-Base interactions energy: -589.166 where: short stacking energy: -259.687 Base-Backbone interact. energy: -1.315 local terms energy: -293.113583 where: bonds (distance) C4'-P energy: -58.037 bonds (distance) P-C4' energy: -65.885 flat angles C4'-P-C4' energy: -58.515 flat angles P-C4'-P energy: -41.062 tors. eta vs tors. theta energy: -69.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -811.300175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.300175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.300175 (E_RNA) where: Base-Base interactions energy: -527.974 where: short stacking energy: -249.972 Base-Backbone interact. energy: 3.154 local terms energy: -286.480587 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -54.341 flat angles C4'-P-C4' energy: -68.591 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -67.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -669.261645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.261645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.261645 (E_RNA) where: Base-Base interactions energy: -407.807 where: short stacking energy: -206.854 Base-Backbone interact. energy: 3.253 local terms energy: -264.707418 where: bonds (distance) C4'-P energy: -55.311 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -67.404 flat angles P-C4'-P energy: -39.525 tors. eta vs tors. theta energy: -44.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -605.121508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.121508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.121508 (E_RNA) where: Base-Base interactions energy: -346.075 where: short stacking energy: -172.661 Base-Backbone interact. energy: 1.939 local terms energy: -260.985203 where: bonds (distance) C4'-P energy: -66.863 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -54.139 flat angles P-C4'-P energy: -39.078 tors. eta vs tors. theta energy: -32.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -502.736258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.736258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.736258 (E_RNA) where: Base-Base interactions energy: -262.530 where: short stacking energy: -159.779 Base-Backbone interact. energy: 0.018 local terms energy: -240.224647 where: bonds (distance) C4'-P energy: -46.304 bonds (distance) P-C4' energy: -67.302 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -34.555 tors. eta vs tors. theta energy: -18.987 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: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -365.484881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.484881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.484881 (E_RNA) where: Base-Base interactions energy: -170.052 where: short stacking energy: -88.590 Base-Backbone interact. energy: -0.344 local terms energy: -195.088691 where: bonds (distance) C4'-P energy: -55.197 bonds (distance) P-C4' energy: -60.003 flat angles C4'-P-C4' energy: -51.271 flat angles P-C4'-P energy: -30.252 tors. eta vs tors. theta energy: 1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -343.165477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.165477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.165477 (E_RNA) where: Base-Base interactions energy: -154.002 where: short stacking energy: -94.048 Base-Backbone interact. energy: -1.470 local terms energy: -187.693880 where: bonds (distance) C4'-P energy: -60.759 bonds (distance) P-C4' energy: -56.822 flat angles C4'-P-C4' energy: -31.283 flat angles P-C4'-P energy: -29.155 tors. eta vs tors. theta energy: -9.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -277.513588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.513588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.513588 (E_RNA) where: Base-Base interactions energy: -110.160 where: short stacking energy: -81.417 Base-Backbone interact. energy: -0.578 local terms energy: -166.775891 where: bonds (distance) C4'-P energy: -45.027 bonds (distance) P-C4' energy: -58.174 flat angles C4'-P-C4' energy: -45.120 flat angles P-C4'-P energy: -21.529 tors. eta vs tors. theta energy: 3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1017.345593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.345593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.345593 (E_RNA) where: Base-Base interactions energy: -684.994 where: short stacking energy: -300.134 Base-Backbone interact. energy: -0.027 local terms energy: -332.324671 where: bonds (distance) C4'-P energy: -67.131 bonds (distance) P-C4' energy: -62.577 flat angles C4'-P-C4' energy: -75.262 flat angles P-C4'-P energy: -45.426 tors. eta vs tors. theta energy: -81.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -896.409616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.409616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.409616 (E_RNA) where: Base-Base interactions energy: -601.794 where: short stacking energy: -262.552 Base-Backbone interact. energy: -0.783 local terms energy: -293.832324 where: bonds (distance) C4'-P energy: -62.448 bonds (distance) P-C4' energy: -62.517 flat angles C4'-P-C4' energy: -59.230 flat angles P-C4'-P energy: -40.937 tors. eta vs tors. theta energy: -68.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -867.542458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.542458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.542458 (E_RNA) where: Base-Base interactions energy: -571.223 where: short stacking energy: -242.907 Base-Backbone interact. energy: -0.785 local terms energy: -295.533896 where: bonds (distance) C4'-P energy: -56.488 bonds (distance) P-C4' energy: -70.782 flat angles C4'-P-C4' energy: -64.406 flat angles P-C4'-P energy: -41.606 tors. eta vs tors. theta energy: -62.252 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: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -802.259281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.259281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.259281 (E_RNA) where: Base-Base interactions energy: -517.241 where: short stacking energy: -229.758 Base-Backbone interact. energy: -0.975 local terms energy: -284.043054 where: bonds (distance) C4'-P energy: -54.490 bonds (distance) P-C4' energy: -66.159 flat angles C4'-P-C4' energy: -63.995 flat angles P-C4'-P energy: -36.384 tors. eta vs tors. theta energy: -63.014 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: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -673.324408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.324408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.324408 (E_RNA) where: Base-Base interactions energy: -421.024 where: short stacking energy: -215.620 Base-Backbone interact. energy: 0.534 local terms energy: -252.834657 where: bonds (distance) C4'-P energy: -49.587 bonds (distance) P-C4' energy: -60.822 flat angles C4'-P-C4' energy: -57.911 flat angles P-C4'-P energy: -33.501 tors. eta vs tors. theta energy: -51.014 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: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -600.560697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.560697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.560697 (E_RNA) where: Base-Base interactions energy: -358.395 where: short stacking energy: -193.205 Base-Backbone interact. energy: -3.148 local terms energy: -239.017631 where: bonds (distance) C4'-P energy: -46.842 bonds (distance) P-C4' energy: -66.684 flat angles C4'-P-C4' energy: -58.747 flat angles P-C4'-P energy: -32.591 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: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -483.505681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.505681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.505681 (E_RNA) where: Base-Base interactions energy: -266.683 where: short stacking energy: -126.221 Base-Backbone interact. energy: -0.258 local terms energy: -216.564755 where: bonds (distance) C4'-P energy: -64.772 bonds (distance) P-C4' energy: -61.108 flat angles C4'-P-C4' energy: -47.350 flat angles P-C4'-P energy: -34.882 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: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -408.244398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.244398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.244398 (E_RNA) where: Base-Base interactions energy: -204.174 where: short stacking energy: -139.481 Base-Backbone interact. energy: -0.173 local terms energy: -203.897274 where: bonds (distance) C4'-P energy: -61.977 bonds (distance) P-C4' energy: -59.658 flat angles C4'-P-C4' energy: -47.127 flat angles P-C4'-P energy: -23.955 tors. eta vs tors. theta energy: -11.181 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: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -364.719864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.719864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.719864 (E_RNA) where: Base-Base interactions energy: -186.235 where: short stacking energy: -118.031 Base-Backbone interact. energy: 0.356 local terms energy: -178.841321 where: bonds (distance) C4'-P energy: -37.006 bonds (distance) P-C4' energy: -55.877 flat angles C4'-P-C4' energy: -51.028 flat angles P-C4'-P energy: -30.177 tors. eta vs tors. theta energy: -4.754 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: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -266.370900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.370900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.370900 (E_RNA) where: Base-Base interactions energy: -100.344 where: short stacking energy: -69.451 Base-Backbone interact. energy: -1.128 local terms energy: -164.898964 where: bonds (distance) C4'-P energy: -48.374 bonds (distance) P-C4' energy: -61.547 flat angles C4'-P-C4' energy: -37.219 flat angles P-C4'-P energy: -28.124 tors. eta vs tors. theta energy: 10.366 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: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1030.368572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.368572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.368572 (E_RNA) where: Base-Base interactions energy: -703.173 where: short stacking energy: -300.079 Base-Backbone interact. energy: -0.903 local terms energy: -326.292895 where: bonds (distance) C4'-P energy: -67.239 bonds (distance) P-C4' energy: -65.571 flat angles C4'-P-C4' energy: -72.124 flat angles P-C4'-P energy: -46.788 tors. eta vs tors. theta energy: -74.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -937.871576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.871576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.871576 (E_RNA) where: Base-Base interactions energy: -616.761 where: short stacking energy: -293.545 Base-Backbone interact. energy: 0.682 local terms energy: -321.791863 where: bonds (distance) C4'-P energy: -65.622 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -47.793 tors. eta vs tors. theta energy: -81.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -869.304208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.304208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.304208 (E_RNA) where: Base-Base interactions energy: -566.829 where: short stacking energy: -268.535 Base-Backbone interact. energy: -1.316 local terms energy: -301.159166 where: bonds (distance) C4'-P energy: -59.296 bonds (distance) P-C4' energy: -60.126 flat angles C4'-P-C4' energy: -64.373 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -71.282 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: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -764.201829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.201829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.201829 (E_RNA) where: Base-Base interactions energy: -473.997 where: short stacking energy: -224.627 Base-Backbone interact. energy: -0.398 local terms energy: -289.806883 where: bonds (distance) C4'-P energy: -60.251 bonds (distance) P-C4' energy: -63.214 flat angles C4'-P-C4' energy: -61.427 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -61.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -640.454341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.454341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.454341 (E_RNA) where: Base-Base interactions energy: -400.146 where: short stacking energy: -184.461 Base-Backbone interact. energy: -1.518 local terms energy: -238.789981 where: bonds (distance) C4'-P energy: -57.153 bonds (distance) P-C4' energy: -58.020 flat angles C4'-P-C4' energy: -48.645 flat angles P-C4'-P energy: -29.315 tors. eta vs tors. theta energy: -45.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -660.005515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.005515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.005515 (E_RNA) where: Base-Base interactions energy: -407.230 where: short stacking energy: -202.645 Base-Backbone interact. energy: 0.228 local terms energy: -253.003702 where: bonds (distance) C4'-P energy: -66.625 bonds (distance) P-C4' energy: -65.784 flat angles C4'-P-C4' energy: -46.368 flat angles P-C4'-P energy: -30.599 tors. eta vs tors. theta energy: -43.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -434.572991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.572991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.572991 (E_RNA) where: Base-Base interactions energy: -240.647 where: short stacking energy: -141.401 Base-Backbone interact. energy: -0.785 local terms energy: -193.140367 where: bonds (distance) C4'-P energy: -40.660 bonds (distance) P-C4' energy: -48.823 flat angles C4'-P-C4' energy: -44.890 flat angles P-C4'-P energy: -44.622 tors. eta vs tors. theta energy: -14.146 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: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -406.905184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.905184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.905184 (E_RNA) where: Base-Base interactions energy: -210.684 where: short stacking energy: -117.754 Base-Backbone interact. energy: -0.379 local terms energy: -195.842812 where: bonds (distance) C4'-P energy: -52.820 bonds (distance) P-C4' energy: -48.650 flat angles C4'-P-C4' energy: -51.968 flat angles P-C4'-P energy: -34.413 tors. eta vs tors. theta energy: -7.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -286.015909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.015909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.015909 (E_RNA) where: Base-Base interactions energy: -116.012 where: short stacking energy: -93.138 Base-Backbone interact. energy: -1.098 local terms energy: -168.905915 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -42.855 flat angles P-C4'-P energy: -20.600 tors. eta vs tors. theta energy: 8.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -331.006224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.006224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.006224 (E_RNA) where: Base-Base interactions energy: -144.448 where: short stacking energy: -88.010 Base-Backbone interact. energy: -0.036 local terms energy: -186.522523 where: bonds (distance) C4'-P energy: -59.034 bonds (distance) P-C4' energy: -56.494 flat angles C4'-P-C4' energy: -48.809 flat angles P-C4'-P energy: -28.104 tors. eta vs tors. theta energy: 5.918 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: 33 Temperature: 0.900000 Total energy: -1038.904017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.904017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.904017 (E_RNA) where: Base-Base interactions energy: -697.354 where: short stacking energy: -309.505 Base-Backbone interact. energy: -1.377 local terms energy: -340.173589 where: bonds (distance) C4'-P energy: -62.096 bonds (distance) P-C4' energy: -67.327 flat angles C4'-P-C4' energy: -69.497 flat angles P-C4'-P energy: -53.219 tors. eta vs tors. theta energy: -88.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -889.173013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.173013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.173013 (E_RNA) where: Base-Base interactions energy: -590.059 where: short stacking energy: -257.986 Base-Backbone interact. energy: -2.758 local terms energy: -296.356038 where: bonds (distance) C4'-P energy: -58.685 bonds (distance) P-C4' energy: -64.626 flat angles C4'-P-C4' energy: -64.788 flat angles P-C4'-P energy: -42.509 tors. eta vs tors. theta energy: -65.748 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: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -896.771700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.771700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.771700 (E_RNA) where: Base-Base interactions energy: -586.449 where: short stacking energy: -273.699 Base-Backbone interact. energy: 1.350 local terms energy: -311.672828 where: bonds (distance) C4'-P energy: -66.240 bonds (distance) P-C4' energy: -54.843 flat angles C4'-P-C4' energy: -70.865 flat angles P-C4'-P energy: -44.534 tors. eta vs tors. theta energy: -75.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -766.125275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.125275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.125275 (E_RNA) where: Base-Base interactions energy: -484.329 where: short stacking energy: -230.128 Base-Backbone interact. energy: -2.497 local terms energy: -279.298827 where: bonds (distance) C4'-P energy: -59.952 bonds (distance) P-C4' energy: -49.162 flat angles C4'-P-C4' energy: -66.552 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -62.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -698.763676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.763676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.763676 (E_RNA) where: Base-Base interactions energy: -436.404 where: short stacking energy: -213.057 Base-Backbone interact. energy: 0.757 local terms energy: -263.116343 where: bonds (distance) C4'-P energy: -65.347 bonds (distance) P-C4' energy: -60.218 flat angles C4'-P-C4' energy: -58.091 flat angles P-C4'-P energy: -30.124 tors. eta vs tors. theta energy: -49.336 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: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -620.950890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.950890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.950890 (E_RNA) where: Base-Base interactions energy: -380.626 where: short stacking energy: -186.831 Base-Backbone interact. energy: -1.909 local terms energy: -238.416208 where: bonds (distance) C4'-P energy: -53.488 bonds (distance) P-C4' energy: -60.415 flat angles C4'-P-C4' energy: -54.366 flat angles P-C4'-P energy: -37.272 tors. eta vs tors. theta energy: -32.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -456.477965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.477965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.477965 (E_RNA) where: Base-Base interactions energy: -258.361 where: short stacking energy: -151.734 Base-Backbone interact. energy: 3.766 local terms energy: -201.883691 where: bonds (distance) C4'-P energy: -54.937 bonds (distance) P-C4' energy: -54.942 flat angles C4'-P-C4' energy: -51.262 flat angles P-C4'-P energy: -28.006 tors. eta vs tors. theta energy: -12.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -368.214688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.214688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.214688 (E_RNA) where: Base-Base interactions energy: -170.316 where: short stacking energy: -99.228 Base-Backbone interact. energy: 2.826 local terms energy: -200.723765 where: bonds (distance) C4'-P energy: -48.936 bonds (distance) P-C4' energy: -57.293 flat angles C4'-P-C4' energy: -50.160 flat angles P-C4'-P energy: -38.148 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -293.094647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.094647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.094647 (E_RNA) where: Base-Base interactions energy: -113.294 where: short stacking energy: -85.917 Base-Backbone interact. energy: -0.538 local terms energy: -179.262539 where: bonds (distance) C4'-P energy: -50.195 bonds (distance) P-C4' energy: -61.290 flat angles C4'-P-C4' energy: -46.053 flat angles P-C4'-P energy: -26.807 tors. eta vs tors. theta energy: 5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -264.808544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.808544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.808544 (E_RNA) where: Base-Base interactions energy: -92.325 where: short stacking energy: -78.008 Base-Backbone interact. energy: -0.769 local terms energy: -171.715072 where: bonds (distance) C4'-P energy: -51.082 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -55.941 flat angles P-C4'-P energy: -23.422 tors. eta vs tors. theta energy: 13.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1018.431238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.431238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.431238 (E_RNA) where: Base-Base interactions energy: -704.858 where: short stacking energy: -296.523 Base-Backbone interact. energy: -0.424 local terms energy: -313.149745 where: bonds (distance) C4'-P energy: -62.424 bonds (distance) P-C4' energy: -61.249 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -80.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -899.949727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.949727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.949727 (E_RNA) where: Base-Base interactions energy: -591.029 where: short stacking energy: -262.929 Base-Backbone interact. energy: 1.699 local terms energy: -310.619937 where: bonds (distance) C4'-P energy: -62.600 bonds (distance) P-C4' energy: -63.245 flat angles C4'-P-C4' energy: -79.190 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -64.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -870.670459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.670459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.670459 (E_RNA) where: Base-Base interactions energy: -566.699 where: short stacking energy: -274.706 Base-Backbone interact. energy: -1.745 local terms energy: -302.226593 where: bonds (distance) C4'-P energy: -58.228 bonds (distance) P-C4' energy: -64.267 flat angles C4'-P-C4' energy: -66.431 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -68.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -782.942841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.942841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.942841 (E_RNA) where: Base-Base interactions energy: -492.492 where: short stacking energy: -250.193 Base-Backbone interact. energy: 1.054 local terms energy: -291.504559 where: bonds (distance) C4'-P energy: -61.739 bonds (distance) P-C4' energy: -63.976 flat angles C4'-P-C4' energy: -65.950 flat angles P-C4'-P energy: -37.870 tors. eta vs tors. theta energy: -61.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -708.452817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.452817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.452817 (E_RNA) where: Base-Base interactions energy: -427.593 where: short stacking energy: -215.559 Base-Backbone interact. energy: -0.548 local terms energy: -280.312516 where: bonds (distance) C4'-P energy: -58.257 bonds (distance) P-C4' energy: -57.236 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -44.748 tors. eta vs tors. theta energy: -58.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -652.809860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.809860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.809860 (E_RNA) where: Base-Base interactions energy: -386.648 where: short stacking energy: -197.043 Base-Backbone interact. energy: -1.542 local terms energy: -264.619950 where: bonds (distance) C4'-P energy: -54.878 bonds (distance) P-C4' energy: -58.354 flat angles C4'-P-C4' energy: -54.663 flat angles P-C4'-P energy: -47.771 tors. eta vs tors. theta energy: -48.955 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: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -532.326830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.326830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.326830 (E_RNA) where: Base-Base interactions energy: -297.043 where: short stacking energy: -152.066 Base-Backbone interact. energy: 0.065 local terms energy: -235.348394 where: bonds (distance) C4'-P energy: -52.569 bonds (distance) P-C4' energy: -59.702 flat angles C4'-P-C4' energy: -61.665 flat angles P-C4'-P energy: -34.712 tors. eta vs tors. theta energy: -26.701 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: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -388.668809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.668809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.668809 (E_RNA) where: Base-Base interactions energy: -176.496 where: short stacking energy: -100.292 Base-Backbone interact. energy: -4.022 local terms energy: -208.151707 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -51.398 flat angles P-C4'-P energy: -32.187 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -301.908812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.908812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.908812 (E_RNA) where: Base-Base interactions energy: -117.020 where: short stacking energy: -75.629 Base-Backbone interact. energy: 0.636 local terms energy: -185.524946 where: bonds (distance) C4'-P energy: -51.099 bonds (distance) P-C4' energy: -66.299 flat angles C4'-P-C4' energy: -47.288 flat angles P-C4'-P energy: -30.569 tors. eta vs tors. theta energy: 9.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -259.502885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.502885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.502885 (E_RNA) where: Base-Base interactions energy: -67.325 where: short stacking energy: -57.862 Base-Backbone interact. energy: 1.121 local terms energy: -193.298986 where: bonds (distance) C4'-P energy: -47.279 bonds (distance) P-C4' energy: -63.032 flat angles C4'-P-C4' energy: -50.677 flat angles P-C4'-P energy: -35.991 tors. eta vs tors. theta energy: 3.681 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: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1027.518756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.518756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.518756 (E_RNA) where: Base-Base interactions energy: -701.241 where: short stacking energy: -309.486 Base-Backbone interact. energy: -0.484 local terms energy: -325.793543 where: bonds (distance) C4'-P energy: -56.963 bonds (distance) P-C4' energy: -67.921 flat angles C4'-P-C4' energy: -70.812 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -83.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -941.252163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.252163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.252163 (E_RNA) where: Base-Base interactions energy: -632.597 where: short stacking energy: -285.908 Base-Backbone interact. energy: -0.942 local terms energy: -307.713367 where: bonds (distance) C4'-P energy: -58.497 bonds (distance) P-C4' energy: -61.230 flat angles C4'-P-C4' energy: -67.683 flat angles P-C4'-P energy: -51.069 tors. eta vs tors. theta energy: -69.234 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: 35 Temperature: 1.000000 Total energy: -836.270928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.270928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.270928 (E_RNA) where: Base-Base interactions energy: -546.168 where: short stacking energy: -260.290 Base-Backbone interact. energy: 0.486 local terms energy: -290.588652 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -70.252 flat angles C4'-P-C4' energy: -61.906 flat angles P-C4'-P energy: -40.598 tors. eta vs tors. theta energy: -59.852 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: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -788.845907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.845907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.845907 (E_RNA) where: Base-Base interactions energy: -493.902 where: short stacking energy: -240.056 Base-Backbone interact. energy: -1.193 local terms energy: -293.750990 where: bonds (distance) C4'-P energy: -57.188 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -73.110 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -62.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -673.273149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.273149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.273149 (E_RNA) where: Base-Base interactions energy: -400.634 where: short stacking energy: -189.697 Base-Backbone interact. energy: -1.258 local terms energy: -271.381787 where: bonds (distance) C4'-P energy: -59.734 bonds (distance) P-C4' energy: -73.278 flat angles C4'-P-C4' energy: -52.879 flat angles P-C4'-P energy: -35.095 tors. eta vs tors. theta energy: -50.396 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: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -656.743074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.743074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.743074 (E_RNA) where: Base-Base interactions energy: -406.646 where: short stacking energy: -194.659 Base-Backbone interact. energy: -1.277 local terms energy: -248.820238 where: bonds (distance) C4'-P energy: -68.984 bonds (distance) P-C4' energy: -54.989 flat angles C4'-P-C4' energy: -53.609 flat angles P-C4'-P energy: -34.051 tors. eta vs tors. theta energy: -37.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -471.510018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.510018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.510018 (E_RNA) where: Base-Base interactions energy: -270.233 where: short stacking energy: -146.090 Base-Backbone interact. energy: -2.879 local terms energy: -198.397429 where: bonds (distance) C4'-P energy: -47.292 bonds (distance) P-C4' energy: -54.000 flat angles C4'-P-C4' energy: -54.054 flat angles P-C4'-P energy: -28.963 tors. eta vs tors. theta energy: -14.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -357.824425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.824425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.824425 (E_RNA) where: Base-Base interactions energy: -173.690 where: short stacking energy: -109.853 Base-Backbone interact. energy: 0.135 local terms energy: -184.269531 where: bonds (distance) C4'-P energy: -49.019 bonds (distance) P-C4' energy: -64.538 flat angles C4'-P-C4' energy: -34.952 flat angles P-C4'-P energy: -25.800 tors. eta vs tors. theta energy: -9.962 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: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -371.549813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.549813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.549813 (E_RNA) where: Base-Base interactions energy: -170.955 where: short stacking energy: -106.619 Base-Backbone interact. energy: -1.479 local terms energy: -199.114998 where: bonds (distance) C4'-P energy: -46.039 bonds (distance) P-C4' energy: -54.655 flat angles C4'-P-C4' energy: -60.083 flat angles P-C4'-P energy: -39.322 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: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -290.373854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.373854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.373854 (E_RNA) where: Base-Base interactions energy: -91.128 where: short stacking energy: -82.598 Base-Backbone interact. energy: -0.847 local terms energy: -198.399413 where: bonds (distance) C4'-P energy: -68.395 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -46.338 flat angles P-C4'-P energy: -23.262 tors. eta vs tors. theta energy: 2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1020.034484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.034484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.034484 (E_RNA) where: Base-Base interactions energy: -693.291 where: short stacking energy: -271.756 Base-Backbone interact. energy: -4.069 local terms energy: -322.674488 where: bonds (distance) C4'-P energy: -65.676 bonds (distance) P-C4' energy: -70.528 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -45.898 tors. eta vs tors. theta energy: -72.347 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: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -917.264843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.264843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.264843 (E_RNA) where: Base-Base interactions energy: -606.092 where: short stacking energy: -292.084 Base-Backbone interact. energy: -0.623 local terms energy: -310.550034 where: bonds (distance) C4'-P energy: -63.796 bonds (distance) P-C4' energy: -65.315 flat angles C4'-P-C4' energy: -66.771 flat angles P-C4'-P energy: -42.516 tors. eta vs tors. theta energy: -72.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -859.974964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.974964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.974964 (E_RNA) where: Base-Base interactions energy: -566.415 where: short stacking energy: -273.938 Base-Backbone interact. energy: -0.267 local terms energy: -293.293239 where: bonds (distance) C4'-P energy: -52.103 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -69.056 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: -72.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -769.020478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.020478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.020478 (E_RNA) where: Base-Base interactions energy: -475.178 where: short stacking energy: -231.339 Base-Backbone interact. energy: -1.315 local terms energy: -292.527334 where: bonds (distance) C4'-P energy: -61.574 bonds (distance) P-C4' energy: -65.477 flat angles C4'-P-C4' energy: -59.522 flat angles P-C4'-P energy: -36.083 tors. eta vs tors. theta energy: -69.871 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: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -755.497512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.497512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.497512 (E_RNA) where: Base-Base interactions energy: -488.345 where: short stacking energy: -224.250 Base-Backbone interact. energy: -1.663 local terms energy: -265.489703 where: bonds (distance) C4'-P energy: -50.826 bonds (distance) P-C4' energy: -55.839 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -36.019 tors. eta vs tors. theta energy: -61.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -648.898114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.898114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.898114 (E_RNA) where: Base-Base interactions energy: -402.705 where: short stacking energy: -181.813 Base-Backbone interact. energy: -0.559 local terms energy: -245.635074 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -62.447 flat angles C4'-P-C4' energy: -56.427 flat angles P-C4'-P energy: -37.848 tors. eta vs tors. theta energy: -32.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -451.906789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.906789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.906789 (E_RNA) where: Base-Base interactions energy: -244.137 where: short stacking energy: -144.748 Base-Backbone interact. energy: -0.804 local terms energy: -206.965976 where: bonds (distance) C4'-P energy: -49.484 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -58.012 flat angles P-C4'-P energy: -25.955 tors. eta vs tors. theta energy: -13.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -425.143102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.143102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.143102 (E_RNA) where: Base-Base interactions energy: -225.580 where: short stacking energy: -106.675 Base-Backbone interact. energy: 1.936 local terms energy: -201.499039 where: bonds (distance) C4'-P energy: -59.381 bonds (distance) P-C4' energy: -56.125 flat angles C4'-P-C4' energy: -44.383 flat angles P-C4'-P energy: -33.560 tors. eta vs tors. theta energy: -8.050 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: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -373.054803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.054803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.054803 (E_RNA) where: Base-Base interactions energy: -173.749 where: short stacking energy: -118.401 Base-Backbone interact. energy: -1.849 local terms energy: -197.457780 where: bonds (distance) C4'-P energy: -50.164 bonds (distance) P-C4' energy: -52.938 flat angles C4'-P-C4' energy: -56.787 flat angles P-C4'-P energy: -29.238 tors. eta vs tors. theta energy: -8.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -253.418119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.418119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.418119 (E_RNA) where: Base-Base interactions energy: -82.685 where: short stacking energy: -75.735 Base-Backbone interact. energy: 1.181 local terms energy: -171.914108 where: bonds (distance) C4'-P energy: -55.706 bonds (distance) P-C4' energy: -56.056 flat angles C4'-P-C4' energy: -50.130 flat angles P-C4'-P energy: -14.747 tors. eta vs tors. theta energy: 4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1018.107466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.107466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.107466 (E_RNA) where: Base-Base interactions energy: -681.846 where: short stacking energy: -276.211 Base-Backbone interact. energy: -2.068 local terms energy: -334.193391 where: bonds (distance) C4'-P energy: -66.326 bonds (distance) P-C4' energy: -63.788 flat angles C4'-P-C4' energy: -76.672 flat angles P-C4'-P energy: -48.963 tors. eta vs tors. theta energy: -78.444 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: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -906.401929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.401929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.401929 (E_RNA) where: Base-Base interactions energy: -614.747 where: short stacking energy: -279.737 Base-Backbone interact. energy: -0.375 local terms energy: -291.280357 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -59.087 flat angles P-C4'-P energy: -36.429 tors. eta vs tors. theta energy: -64.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -854.493909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.493909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.493909 (E_RNA) where: Base-Base interactions energy: -538.414 where: short stacking energy: -264.661 Base-Backbone interact. energy: -0.360 local terms energy: -315.720420 where: bonds (distance) C4'-P energy: -67.061 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -73.099 flat angles P-C4'-P energy: -49.281 tors. eta vs tors. theta energy: -70.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -786.085990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.085990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.085990 (E_RNA) where: Base-Base interactions energy: -499.929 where: short stacking energy: -230.392 Base-Backbone interact. energy: 0.189 local terms energy: -286.345651 where: bonds (distance) C4'-P energy: -53.575 bonds (distance) P-C4' energy: -60.183 flat angles C4'-P-C4' energy: -58.749 flat angles P-C4'-P energy: -49.664 tors. eta vs tors. theta energy: -64.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -730.323030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.323030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.323030 (E_RNA) where: Base-Base interactions energy: -470.321 where: short stacking energy: -213.285 Base-Backbone interact. energy: -0.253 local terms energy: -259.749053 where: bonds (distance) C4'-P energy: -39.420 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -67.482 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -45.988 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: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -585.210337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.210337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.210337 (E_RNA) where: Base-Base interactions energy: -348.463 where: short stacking energy: -163.637 Base-Backbone interact. energy: 0.339 local terms energy: -237.086701 where: bonds (distance) C4'-P energy: -55.360 bonds (distance) P-C4' energy: -63.447 flat angles C4'-P-C4' energy: -55.571 flat angles P-C4'-P energy: -35.080 tors. eta vs tors. theta energy: -27.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -459.203711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.203711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.203711 (E_RNA) where: Base-Base interactions energy: -239.313 where: short stacking energy: -153.384 Base-Backbone interact. energy: 0.854 local terms energy: -220.745266 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -48.616 flat angles P-C4'-P energy: -37.651 tors. eta vs tors. theta energy: -17.375 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: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -385.868797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.868797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.868797 (E_RNA) where: Base-Base interactions energy: -174.656 where: short stacking energy: -104.735 Base-Backbone interact. energy: -3.552 local terms energy: -207.660759 where: bonds (distance) C4'-P energy: -54.361 bonds (distance) P-C4' energy: -64.410 flat angles C4'-P-C4' energy: -50.135 flat angles P-C4'-P energy: -37.727 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -346.781925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.781925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.781925 (E_RNA) where: Base-Base interactions energy: -153.675 where: short stacking energy: -99.240 Base-Backbone interact. energy: 2.359 local terms energy: -195.465336 where: bonds (distance) C4'-P energy: -43.136 bonds (distance) P-C4' energy: -60.474 flat angles C4'-P-C4' energy: -57.644 flat angles P-C4'-P energy: -28.337 tors. eta vs tors. theta energy: -5.874 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: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -270.413955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.413955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.413955 (E_RNA) where: Base-Base interactions energy: -104.223 where: short stacking energy: -89.964 Base-Backbone interact. energy: -1.983 local terms energy: -164.208416 where: bonds (distance) C4'-P energy: -51.825 bonds (distance) P-C4' energy: -42.854 flat angles C4'-P-C4' energy: -45.060 flat angles P-C4'-P energy: -22.764 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1026.424866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.424866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.424866 (E_RNA) where: Base-Base interactions energy: -687.125 where: short stacking energy: -298.633 Base-Backbone interact. energy: -0.705 local terms energy: -338.595053 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -60.835 flat angles C4'-P-C4' energy: -75.969 flat angles P-C4'-P energy: -58.213 tors. eta vs tors. theta energy: -88.163 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: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -910.205355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.205355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.205355 (E_RNA) where: Base-Base interactions energy: -611.885 where: short stacking energy: -269.110 Base-Backbone interact. energy: 3.713 local terms energy: -302.033469 where: bonds (distance) C4'-P energy: -68.375 bonds (distance) P-C4' energy: -58.250 flat angles C4'-P-C4' energy: -71.036 flat angles P-C4'-P energy: -41.935 tors. eta vs tors. theta energy: -62.437 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: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -863.974055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.974055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.974055 (E_RNA) where: Base-Base interactions energy: -573.590 where: short stacking energy: -245.611 Base-Backbone interact. energy: -1.792 local terms energy: -288.592034 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -46.611 flat angles C4'-P-C4' energy: -65.473 flat angles P-C4'-P energy: -39.818 tors. eta vs tors. theta energy: -71.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -794.566388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.566388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.566388 (E_RNA) where: Base-Base interactions energy: -515.789 where: short stacking energy: -240.331 Base-Backbone interact. energy: -0.371 local terms energy: -278.406247 where: bonds (distance) C4'-P energy: -61.347 bonds (distance) P-C4' energy: -56.375 flat angles C4'-P-C4' energy: -60.932 flat angles P-C4'-P energy: -41.938 tors. eta vs tors. theta energy: -57.815 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: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -724.220479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.220479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.220479 (E_RNA) where: Base-Base interactions energy: -457.990 where: short stacking energy: -212.899 Base-Backbone interact. energy: -1.109 local terms energy: -265.121581 where: bonds (distance) C4'-P energy: -60.309 bonds (distance) P-C4' energy: -61.490 flat angles C4'-P-C4' energy: -66.560 flat angles P-C4'-P energy: -33.589 tors. eta vs tors. theta energy: -43.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -565.999196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.999196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.999196 (E_RNA) where: Base-Base interactions energy: -339.043 where: short stacking energy: -171.708 Base-Backbone interact. energy: -2.358 local terms energy: -224.597903 where: bonds (distance) C4'-P energy: -56.514 bonds (distance) P-C4' energy: -54.681 flat angles C4'-P-C4' energy: -55.722 flat angles P-C4'-P energy: -30.643 tors. eta vs tors. theta energy: -27.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -455.236229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.236229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.236229 (E_RNA) where: Base-Base interactions energy: -238.307 where: short stacking energy: -157.342 Base-Backbone interact. energy: 2.488 local terms energy: -219.417451 where: bonds (distance) C4'-P energy: -43.751 bonds (distance) P-C4' energy: -57.107 flat angles C4'-P-C4' energy: -64.873 flat angles P-C4'-P energy: -34.027 tors. eta vs tors. theta energy: -19.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -371.342507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.342507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.342507 (E_RNA) where: Base-Base interactions energy: -173.034 where: short stacking energy: -115.350 Base-Backbone interact. energy: 5.778 local terms energy: -204.086386 where: bonds (distance) C4'-P energy: -45.200 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -54.347 flat angles P-C4'-P energy: -24.721 tors. eta vs tors. theta energy: -19.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -354.654649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.654649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.654649 (E_RNA) where: Base-Base interactions energy: -151.913 where: short stacking energy: -114.243 Base-Backbone interact. energy: -0.535 local terms energy: -202.205856 where: bonds (distance) C4'-P energy: -56.403 bonds (distance) P-C4' energy: -61.020 flat angles C4'-P-C4' energy: -50.962 flat angles P-C4'-P energy: -28.061 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -250.916295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.916295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.916295 (E_RNA) where: Base-Base interactions energy: -85.961 where: short stacking energy: -73.673 Base-Backbone interact. energy: 0.384 local terms energy: -165.339602 where: bonds (distance) C4'-P energy: -49.884 bonds (distance) P-C4' energy: -54.962 flat angles C4'-P-C4' energy: -33.300 flat angles P-C4'-P energy: -32.046 tors. eta vs tors. theta energy: 4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1017.312015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.312015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.312015 (E_RNA) where: Base-Base interactions energy: -691.553 where: short stacking energy: -303.340 Base-Backbone interact. energy: -2.841 local terms energy: -322.917967 where: bonds (distance) C4'-P energy: -63.245 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -74.932 flat angles P-C4'-P energy: -44.658 tors. eta vs tors. theta energy: -81.361 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: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -952.355149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.355149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.355149 (E_RNA) where: Base-Base interactions energy: -622.243 where: short stacking energy: -304.775 Base-Backbone interact. energy: -1.222 local terms energy: -328.890690 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -69.671 flat angles P-C4'-P energy: -51.312 tors. eta vs tors. theta energy: -87.112 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: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -874.930095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.930095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.930095 (E_RNA) where: Base-Base interactions energy: -603.432 where: short stacking energy: -229.379 Base-Backbone interact. energy: 1.357 local terms energy: -272.854495 where: bonds (distance) C4'-P energy: -62.144 bonds (distance) P-C4' energy: -58.198 flat angles C4'-P-C4' energy: -55.763 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -58.504 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: 39 Temperature: 1.050000 Total energy: -760.222300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.222300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.222300 (E_RNA) where: Base-Base interactions energy: -463.921 where: short stacking energy: -227.771 Base-Backbone interact. energy: -0.961 local terms energy: -295.340625 where: bonds (distance) C4'-P energy: -63.508 bonds (distance) P-C4' energy: -67.877 flat angles C4'-P-C4' energy: -65.110 flat angles P-C4'-P energy: -35.275 tors. eta vs tors. theta energy: -63.570 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: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -734.290589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.290589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.290589 (E_RNA) where: Base-Base interactions energy: -462.745 where: short stacking energy: -215.430 Base-Backbone interact. energy: -2.018 local terms energy: -269.526995 where: bonds (distance) C4'-P energy: -50.721 bonds (distance) P-C4' energy: -65.939 flat angles C4'-P-C4' energy: -59.770 flat angles P-C4'-P energy: -39.505 tors. eta vs tors. theta energy: -53.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -583.254641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.254641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.254641 (E_RNA) where: Base-Base interactions energy: -360.229 where: short stacking energy: -180.911 Base-Backbone interact. energy: -0.479 local terms energy: -222.546454 where: bonds (distance) C4'-P energy: -39.994 bonds (distance) P-C4' energy: -63.990 flat angles C4'-P-C4' energy: -57.265 flat angles P-C4'-P energy: -30.866 tors. eta vs tors. theta energy: -30.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -465.104174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.104174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.104174 (E_RNA) where: Base-Base interactions energy: -254.726 where: short stacking energy: -132.563 Base-Backbone interact. energy: -2.379 local terms energy: -207.998360 where: bonds (distance) C4'-P energy: -63.442 bonds (distance) P-C4' energy: -48.421 flat angles C4'-P-C4' energy: -47.703 flat angles P-C4'-P energy: -29.548 tors. eta vs tors. theta energy: -18.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -411.194498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.194498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.194498 (E_RNA) where: Base-Base interactions energy: -214.264 where: short stacking energy: -123.971 Base-Backbone interact. energy: -1.530 local terms energy: -195.400940 where: bonds (distance) C4'-P energy: -49.135 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -49.908 flat angles P-C4'-P energy: -26.224 tors. eta vs tors. theta energy: -11.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -332.324412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.324412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.324412 (E_RNA) where: Base-Base interactions energy: -136.403 where: short stacking energy: -101.937 Base-Backbone interact. energy: -1.249 local terms energy: -194.672895 where: bonds (distance) C4'-P energy: -61.279 bonds (distance) P-C4' energy: -55.525 flat angles C4'-P-C4' energy: -49.748 flat angles P-C4'-P energy: -17.202 tors. eta vs tors. theta energy: -10.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -298.429860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.429860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.429860 (E_RNA) where: Base-Base interactions energy: -101.460 where: short stacking energy: -86.343 Base-Backbone interact. energy: 1.921 local terms energy: -198.891747 where: bonds (distance) C4'-P energy: -57.709 bonds (distance) P-C4' energy: -56.136 flat angles C4'-P-C4' energy: -47.184 flat angles P-C4'-P energy: -28.674 tors. eta vs tors. theta energy: -9.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1025.419947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.419947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.419947 (E_RNA) where: Base-Base interactions energy: -684.193 where: short stacking energy: -299.501 Base-Backbone interact. energy: -0.976 local terms energy: -340.250664 where: bonds (distance) C4'-P energy: -60.620 bonds (distance) P-C4' energy: -66.902 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -55.591 tors. eta vs tors. theta energy: -84.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -932.240072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.240072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.240072 (E_RNA) where: Base-Base interactions energy: -615.432 where: short stacking energy: -289.290 Base-Backbone interact. energy: -0.689 local terms energy: -316.119638 where: bonds (distance) C4'-P energy: -61.764 bonds (distance) P-C4' energy: -69.186 flat angles C4'-P-C4' energy: -64.908 flat angles P-C4'-P energy: -32.613 tors. eta vs tors. theta energy: -87.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -885.062484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.062484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.062484 (E_RNA) where: Base-Base interactions energy: -591.684 where: short stacking energy: -267.516 Base-Backbone interact. energy: 2.526 local terms energy: -295.904134 where: bonds (distance) C4'-P energy: -58.628 bonds (distance) P-C4' energy: -60.031 flat angles C4'-P-C4' energy: -67.071 flat angles P-C4'-P energy: -45.166 tors. eta vs tors. theta energy: -65.008 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: 40 Temperature: 1.050000 Total energy: -779.984064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.984064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.984064 (E_RNA) where: Base-Base interactions energy: -502.190 where: short stacking energy: -255.531 Base-Backbone interact. energy: -1.153 local terms energy: -276.640646 where: bonds (distance) C4'-P energy: -52.914 bonds (distance) P-C4' energy: -54.365 flat angles C4'-P-C4' energy: -64.503 flat angles P-C4'-P energy: -37.056 tors. eta vs tors. theta energy: -67.802 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: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -709.900578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.900578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.900578 (E_RNA) where: Base-Base interactions energy: -452.866 where: short stacking energy: -202.831 Base-Backbone interact. energy: -2.080 local terms energy: -254.954805 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -57.467 flat angles C4'-P-C4' energy: -58.909 flat angles P-C4'-P energy: -40.148 tors. eta vs tors. theta energy: -38.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -578.186088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.186088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.186088 (E_RNA) where: Base-Base interactions energy: -321.125 where: short stacking energy: -173.239 Base-Backbone interact. energy: -0.532 local terms energy: -256.529536 where: bonds (distance) C4'-P energy: -70.126 bonds (distance) P-C4' energy: -68.631 flat angles C4'-P-C4' energy: -54.791 flat angles P-C4'-P energy: -38.041 tors. eta vs tors. theta energy: -24.942 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: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -499.830029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.830029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.830029 (E_RNA) where: Base-Base interactions energy: -276.333 where: short stacking energy: -174.308 Base-Backbone interact. energy: 0.183 local terms energy: -223.680228 where: bonds (distance) C4'-P energy: -43.629 bonds (distance) P-C4' energy: -62.273 flat angles C4'-P-C4' energy: -54.952 flat angles P-C4'-P energy: -33.968 tors. eta vs tors. theta energy: -28.859 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: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -453.171377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.171377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.171377 (E_RNA) where: Base-Base interactions energy: -238.458 where: short stacking energy: -126.138 Base-Backbone interact. energy: -0.826 local terms energy: -213.887828 where: bonds (distance) C4'-P energy: -61.927 bonds (distance) P-C4' energy: -56.473 flat angles C4'-P-C4' energy: -58.078 flat angles P-C4'-P energy: -30.190 tors. eta vs tors. theta energy: -7.221 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: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -338.547522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.547522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.547522 (E_RNA) where: Base-Base interactions energy: -148.936 where: short stacking energy: -107.103 Base-Backbone interact. energy: 4.302 local terms energy: -193.913386 where: bonds (distance) C4'-P energy: -53.346 bonds (distance) P-C4' energy: -52.815 flat angles C4'-P-C4' energy: -50.311 flat angles P-C4'-P energy: -30.394 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -280.800202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.800202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.800202 (E_RNA) where: Base-Base interactions energy: -119.042 where: short stacking energy: -69.762 Base-Backbone interact. energy: -0.650 local terms energy: -161.108287 where: bonds (distance) C4'-P energy: -41.198 bonds (distance) P-C4' energy: -54.204 flat angles C4'-P-C4' energy: -46.633 flat angles P-C4'-P energy: -26.052 tors. eta vs tors. theta energy: 6.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1044.519291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.519291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.519291 (E_RNA) where: Base-Base interactions energy: -708.480 where: short stacking energy: -306.709 Base-Backbone interact. energy: -1.452 local terms energy: -334.587624 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -64.550 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -83.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -898.572258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.572258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.572258 (E_RNA) where: Base-Base interactions energy: -591.382 where: short stacking energy: -263.079 Base-Backbone interact. energy: -1.272 local terms energy: -305.918170 where: bonds (distance) C4'-P energy: -49.484 bonds (distance) P-C4' energy: -68.363 flat angles C4'-P-C4' energy: -68.396 flat angles P-C4'-P energy: -46.054 tors. eta vs tors. theta energy: -73.621 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: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -878.930878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.930878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.930878 (E_RNA) where: Base-Base interactions energy: -580.392 where: short stacking energy: -265.310 Base-Backbone interact. energy: -1.676 local terms energy: -296.862725 where: bonds (distance) C4'-P energy: -52.215 bonds (distance) P-C4' energy: -69.043 flat angles C4'-P-C4' energy: -65.425 flat angles P-C4'-P energy: -35.579 tors. eta vs tors. theta energy: -74.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -795.404403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.404403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.404403 (E_RNA) where: Base-Base interactions energy: -498.464 where: short stacking energy: -225.132 Base-Backbone interact. energy: -1.849 local terms energy: -295.091000 where: bonds (distance) C4'-P energy: -63.824 bonds (distance) P-C4' energy: -69.723 flat angles C4'-P-C4' energy: -54.550 flat angles P-C4'-P energy: -43.891 tors. eta vs tors. theta energy: -63.103 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: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -696.446286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.446286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.446286 (E_RNA) where: Base-Base interactions energy: -438.593 where: short stacking energy: -211.290 Base-Backbone interact. energy: -1.303 local terms energy: -256.550514 where: bonds (distance) C4'-P energy: -57.882 bonds (distance) P-C4' energy: -56.846 flat angles C4'-P-C4' energy: -62.103 flat angles P-C4'-P energy: -36.837 tors. eta vs tors. theta energy: -42.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -573.675838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.675838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.675838 (E_RNA) where: Base-Base interactions energy: -344.429 where: short stacking energy: -179.796 Base-Backbone interact. energy: -1.905 local terms energy: -227.341471 where: bonds (distance) C4'-P energy: -48.107 bonds (distance) P-C4' energy: -57.960 flat angles C4'-P-C4' energy: -51.064 flat angles P-C4'-P energy: -37.816 tors. eta vs tors. theta energy: -32.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -497.327616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.327616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.327616 (E_RNA) where: Base-Base interactions energy: -277.521 where: short stacking energy: -145.876 Base-Backbone interact. energy: -0.894 local terms energy: -218.912700 where: bonds (distance) C4'-P energy: -52.884 bonds (distance) P-C4' energy: -57.129 flat angles C4'-P-C4' energy: -58.381 flat angles P-C4'-P energy: -32.138 tors. eta vs tors. theta energy: -18.381 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: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -403.862851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.862851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.862851 (E_RNA) where: Base-Base interactions energy: -205.995 where: short stacking energy: -127.950 Base-Backbone interact. energy: -1.548 local terms energy: -196.320498 where: bonds (distance) C4'-P energy: -49.535 bonds (distance) P-C4' energy: -59.210 flat angles C4'-P-C4' energy: -44.272 flat angles P-C4'-P energy: -34.321 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: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -327.004711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.004711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.004711 (E_RNA) where: Base-Base interactions energy: -141.811 where: short stacking energy: -100.149 Base-Backbone interact. energy: -2.634 local terms energy: -182.559192 where: bonds (distance) C4'-P energy: -47.086 bonds (distance) P-C4' energy: -51.990 flat angles C4'-P-C4' energy: -51.529 flat angles P-C4'-P energy: -37.561 tors. eta vs tors. theta energy: 5.608 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: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -315.667251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.667251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.667251 (E_RNA) where: Base-Base interactions energy: -140.115 where: short stacking energy: -88.072 Base-Backbone interact. energy: 0.846 local terms energy: -176.398872 where: bonds (distance) C4'-P energy: -54.444 bonds (distance) P-C4' energy: -53.398 flat angles C4'-P-C4' energy: -44.442 flat angles P-C4'-P energy: -28.196 tors. eta vs tors. theta energy: 4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1017.181610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.181610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.181610 (E_RNA) where: Base-Base interactions energy: -698.834 where: short stacking energy: -294.790 Base-Backbone interact. energy: -1.147 local terms energy: -317.199885 where: bonds (distance) C4'-P energy: -57.070 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -71.283 flat angles P-C4'-P energy: -49.745 tors. eta vs tors. theta energy: -77.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -884.927648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.927648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.927648 (E_RNA) where: Base-Base interactions energy: -578.858 where: short stacking energy: -281.278 Base-Backbone interact. energy: -1.205 local terms energy: -304.865273 where: bonds (distance) C4'-P energy: -56.859 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -73.962 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: -74.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -882.201989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.201989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.201989 (E_RNA) where: Base-Base interactions energy: -579.611 where: short stacking energy: -259.576 Base-Backbone interact. energy: -0.568 local terms energy: -302.022713 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -62.514 flat angles C4'-P-C4' energy: -75.511 flat angles P-C4'-P energy: -51.519 tors. eta vs tors. theta energy: -53.904 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: 42 Temperature: 1.050000 Total energy: -781.079182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.079182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.079182 (E_RNA) where: Base-Base interactions energy: -489.077 where: short stacking energy: -235.082 Base-Backbone interact. energy: -1.638 local terms energy: -290.364989 where: bonds (distance) C4'-P energy: -56.966 bonds (distance) P-C4' energy: -61.757 flat angles C4'-P-C4' energy: -65.328 flat angles P-C4'-P energy: -42.788 tors. eta vs tors. theta energy: -63.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -737.577383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.577383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.577383 (E_RNA) where: Base-Base interactions energy: -454.411 where: short stacking energy: -225.347 Base-Backbone interact. energy: -0.016 local terms energy: -283.150140 where: bonds (distance) C4'-P energy: -58.035 bonds (distance) P-C4' energy: -62.630 flat angles C4'-P-C4' energy: -62.916 flat angles P-C4'-P energy: -41.469 tors. eta vs tors. theta energy: -58.100 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: 6, replica: 3 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -567.109587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.109587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.109587 (E_RNA) where: Base-Base interactions energy: -328.220 where: short stacking energy: -191.044 Base-Backbone interact. energy: 1.088 local terms energy: -239.977093 where: bonds (distance) C4'-P energy: -50.541 bonds (distance) P-C4' energy: -57.803 flat angles C4'-P-C4' energy: -57.018 flat angles P-C4'-P energy: -38.535 tors. eta vs tors. theta energy: -36.080 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: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -431.262479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.262479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.262479 (E_RNA) where: Base-Base interactions energy: -235.997 where: short stacking energy: -126.037 Base-Backbone interact. energy: 0.073 local terms energy: -195.338443 where: bonds (distance) C4'-P energy: -51.164 bonds (distance) P-C4' energy: -47.559 flat angles C4'-P-C4' energy: -56.237 flat angles P-C4'-P energy: -22.577 tors. eta vs tors. theta energy: -17.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -465.803053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.803053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.803053 (E_RNA) where: Base-Base interactions energy: -255.515 where: short stacking energy: -127.874 Base-Backbone interact. energy: -1.440 local terms energy: -208.848309 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -58.951 flat angles C4'-P-C4' energy: -42.451 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -334.432576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.432576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.432576 (E_RNA) where: Base-Base interactions energy: -154.052 where: short stacking energy: -86.731 Base-Backbone interact. energy: -1.158 local terms energy: -179.222594 where: bonds (distance) C4'-P energy: -57.267 bonds (distance) P-C4' energy: -64.520 flat angles C4'-P-C4' energy: -29.443 flat angles P-C4'-P energy: -33.221 tors. eta vs tors. theta energy: 5.227 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: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -271.798014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.798014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.798014 (E_RNA) where: Base-Base interactions energy: -84.598 where: short stacking energy: -67.613 Base-Backbone interact. energy: -1.117 local terms energy: -186.083345 where: bonds (distance) C4'-P energy: -49.151 bonds (distance) P-C4' energy: -60.464 flat angles C4'-P-C4' energy: -55.061 flat angles P-C4'-P energy: -32.047 tors. eta vs tors. theta energy: 10.640 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: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1048.187160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.187160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.187160 (E_RNA) where: Base-Base interactions energy: -711.709 where: short stacking energy: -303.786 Base-Backbone interact. energy: -2.691 local terms energy: -333.787473 where: bonds (distance) C4'-P energy: -61.166 bonds (distance) P-C4' energy: -68.520 flat angles C4'-P-C4' energy: -74.749 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -83.280 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: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -895.328098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.328098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.328098 (E_RNA) where: Base-Base interactions energy: -609.088 where: short stacking energy: -270.818 Base-Backbone interact. energy: 0.102 local terms energy: -286.341922 where: bonds (distance) C4'-P energy: -54.092 bonds (distance) P-C4' energy: -63.809 flat angles C4'-P-C4' energy: -59.364 flat angles P-C4'-P energy: -43.477 tors. eta vs tors. theta energy: -65.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -889.631655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.631655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.631655 (E_RNA) where: Base-Base interactions energy: -582.767 where: short stacking energy: -258.468 Base-Backbone interact. energy: 1.224 local terms energy: -308.088860 where: bonds (distance) C4'-P energy: -59.851 bonds (distance) P-C4' energy: -65.447 flat angles C4'-P-C4' energy: -67.095 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -64.582 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: 43 Temperature: 1.050000 Total energy: -770.263887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.263887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.263887 (E_RNA) where: Base-Base interactions energy: -464.164 where: short stacking energy: -231.480 Base-Backbone interact. energy: 0.087 local terms energy: -306.186821 where: bonds (distance) C4'-P energy: -60.880 bonds (distance) P-C4' energy: -66.032 flat angles C4'-P-C4' energy: -69.031 flat angles P-C4'-P energy: -44.365 tors. eta vs tors. theta energy: -65.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -744.724152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.724152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.724152 (E_RNA) where: Base-Base interactions energy: -460.263 where: short stacking energy: -221.047 Base-Backbone interact. energy: -1.698 local terms energy: -282.762346 where: bonds (distance) C4'-P energy: -45.545 bonds (distance) P-C4' energy: -72.687 flat angles C4'-P-C4' energy: -64.130 flat angles P-C4'-P energy: -34.981 tors. eta vs tors. theta energy: -65.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -596.422067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.422067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.422067 (E_RNA) where: Base-Base interactions energy: -342.518 where: short stacking energy: -195.486 Base-Backbone interact. energy: -1.060 local terms energy: -252.844235 where: bonds (distance) C4'-P energy: -46.323 bonds (distance) P-C4' energy: -63.070 flat angles C4'-P-C4' energy: -65.050 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: -48.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -481.573719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.573719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.573719 (E_RNA) where: Base-Base interactions energy: -253.627 where: short stacking energy: -137.449 Base-Backbone interact. energy: 0.866 local terms energy: -228.812526 where: bonds (distance) C4'-P energy: -56.761 bonds (distance) P-C4' energy: -56.857 flat angles C4'-P-C4' energy: -69.232 flat angles P-C4'-P energy: -26.913 tors. eta vs tors. theta energy: -19.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -422.415334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.415334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.415334 (E_RNA) where: Base-Base interactions energy: -229.585 where: short stacking energy: -140.578 Base-Backbone interact. energy: -0.493 local terms energy: -192.337762 where: bonds (distance) C4'-P energy: -42.470 bonds (distance) P-C4' energy: -56.868 flat angles C4'-P-C4' energy: -45.575 flat angles P-C4'-P energy: -26.387 tors. eta vs tors. theta energy: -21.037 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: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -285.799261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.799261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.799261 (E_RNA) where: Base-Base interactions energy: -124.634 where: short stacking energy: -72.228 Base-Backbone interact. energy: 0.278 local terms energy: -161.443204 where: bonds (distance) C4'-P energy: -48.698 bonds (distance) P-C4' energy: -50.349 flat angles C4'-P-C4' energy: -46.698 flat angles P-C4'-P energy: -27.137 tors. eta vs tors. theta energy: 11.438 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: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -252.318985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.318985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.318985 (E_RNA) where: Base-Base interactions energy: -84.777 where: short stacking energy: -75.666 Base-Backbone interact. energy: 6.206 local terms energy: -173.748128 where: bonds (distance) C4'-P energy: -50.308 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -39.254 flat angles P-C4'-P energy: -32.365 tors. eta vs tors. theta energy: 13.172 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: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1054.570786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.570786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.570786 (E_RNA) where: Base-Base interactions energy: -706.587 where: short stacking energy: -304.477 Base-Backbone interact. energy: -2.644 local terms energy: -345.339842 where: bonds (distance) C4'-P energy: -70.263 bonds (distance) P-C4' energy: -70.535 flat angles C4'-P-C4' energy: -72.370 flat angles P-C4'-P energy: -42.984 tors. eta vs tors. theta energy: -89.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -896.485597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.485597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.485597 (E_RNA) where: Base-Base interactions energy: -594.612 where: short stacking energy: -274.246 Base-Backbone interact. energy: -1.537 local terms energy: -300.336656 where: bonds (distance) C4'-P energy: -63.221 bonds (distance) P-C4' energy: -59.499 flat angles C4'-P-C4' energy: -64.460 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -63.125 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: 44 Temperature: 1.000000 Total energy: -881.333299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.333299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.333299 (E_RNA) where: Base-Base interactions energy: -582.792 where: short stacking energy: -274.020 Base-Backbone interact. energy: 1.021 local terms energy: -299.562732 where: bonds (distance) C4'-P energy: -53.495 bonds (distance) P-C4' energy: -64.119 flat angles C4'-P-C4' energy: -55.682 flat angles P-C4'-P energy: -40.486 tors. eta vs tors. theta energy: -85.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -740.752668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.752668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.752668 (E_RNA) where: Base-Base interactions energy: -475.024 where: short stacking energy: -233.858 Base-Backbone interact. energy: 0.532 local terms energy: -266.260877 where: bonds (distance) C4'-P energy: -49.286 bonds (distance) P-C4' energy: -66.116 flat angles C4'-P-C4' energy: -54.261 flat angles P-C4'-P energy: -37.994 tors. eta vs tors. theta energy: -58.604 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: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -768.613170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.613170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.613170 (E_RNA) where: Base-Base interactions energy: -500.483 where: short stacking energy: -247.024 Base-Backbone interact. energy: 0.024 local terms energy: -268.154257 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -52.010 flat angles C4'-P-C4' energy: -51.989 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -59.750 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: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -584.974488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.974488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.974488 (E_RNA) where: Base-Base interactions energy: -358.752 where: short stacking energy: -170.939 Base-Backbone interact. energy: 7.088 local terms energy: -233.310295 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -54.805 flat angles C4'-P-C4' energy: -49.780 flat angles P-C4'-P energy: -43.427 tors. eta vs tors. theta energy: -25.279 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: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -492.369633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.369633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.369633 (E_RNA) where: Base-Base interactions energy: -259.600 where: short stacking energy: -156.087 Base-Backbone interact. energy: 3.031 local terms energy: -235.800664 where: bonds (distance) C4'-P energy: -47.733 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -58.689 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -28.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -407.894501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.894501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.894501 (E_RNA) where: Base-Base interactions energy: -202.380 where: short stacking energy: -109.333 Base-Backbone interact. energy: 2.554 local terms energy: -208.069437 where: bonds (distance) C4'-P energy: -55.997 bonds (distance) P-C4' energy: -45.367 flat angles C4'-P-C4' energy: -58.884 flat angles P-C4'-P energy: -35.592 tors. eta vs tors. theta energy: -12.230 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: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -327.855310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.855310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.855310 (E_RNA) where: Base-Base interactions energy: -141.406 where: short stacking energy: -99.196 Base-Backbone interact. energy: -0.162 local terms energy: -186.286612 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -53.346 flat angles C4'-P-C4' energy: -38.144 flat angles P-C4'-P energy: -26.723 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -259.576305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.576305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.576305 (E_RNA) where: Base-Base interactions energy: -87.838 where: short stacking energy: -69.926 Base-Backbone interact. energy: -0.898 local terms energy: -170.840425 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -60.096 flat angles C4'-P-C4' energy: -51.720 flat angles P-C4'-P energy: -21.946 tors. eta vs tors. theta energy: 20.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1046.715374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.715374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.715374 (E_RNA) where: Base-Base interactions energy: -701.961 where: short stacking energy: -310.422 Base-Backbone interact. energy: 1.680 local terms energy: -346.434965 where: bonds (distance) C4'-P energy: -61.918 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -74.369 flat angles P-C4'-P energy: -53.901 tors. eta vs tors. theta energy: -86.676 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: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -902.021875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.021875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.021875 (E_RNA) where: Base-Base interactions energy: -605.120 where: short stacking energy: -270.627 Base-Backbone interact. energy: -2.921 local terms energy: -293.980815 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -56.054 flat angles C4'-P-C4' energy: -71.497 flat angles P-C4'-P energy: -47.055 tors. eta vs tors. theta energy: -63.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -920.412045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.412045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.412045 (E_RNA) where: Base-Base interactions energy: -615.567 where: short stacking energy: -258.549 Base-Backbone interact. energy: -1.392 local terms energy: -303.453220 where: bonds (distance) C4'-P energy: -67.410 bonds (distance) P-C4' energy: -62.735 flat angles C4'-P-C4' energy: -57.732 flat angles P-C4'-P energy: -44.855 tors. eta vs tors. theta energy: -70.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -714.017653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.017653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.017653 (E_RNA) where: Base-Base interactions energy: -434.509 where: short stacking energy: -213.398 Base-Backbone interact. energy: -1.151 local terms energy: -278.357688 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -56.257 flat angles P-C4'-P energy: -44.292 tors. eta vs tors. theta energy: -51.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -690.460943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.460943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.460943 (E_RNA) where: Base-Base interactions energy: -422.864 where: short stacking energy: -205.017 Base-Backbone interact. energy: -1.402 local terms energy: -266.194614 where: bonds (distance) C4'-P energy: -51.489 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -60.968 flat angles P-C4'-P energy: -37.011 tors. eta vs tors. theta energy: -52.128 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: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -597.551565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.551565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.551565 (E_RNA) where: Base-Base interactions energy: -371.704 where: short stacking energy: -178.934 Base-Backbone interact. energy: 1.693 local terms energy: -227.540496 where: bonds (distance) C4'-P energy: -52.835 bonds (distance) P-C4' energy: -60.766 flat angles C4'-P-C4' energy: -60.078 flat angles P-C4'-P energy: -30.173 tors. eta vs tors. theta energy: -23.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -430.825234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.825234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.825234 (E_RNA) where: Base-Base interactions energy: -209.129 where: short stacking energy: -127.364 Base-Backbone interact. energy: -2.938 local terms energy: -218.758438 where: bonds (distance) C4'-P energy: -49.012 bonds (distance) P-C4' energy: -59.179 flat angles C4'-P-C4' energy: -43.010 flat angles P-C4'-P energy: -31.732 tors. eta vs tors. theta energy: -35.826 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: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -409.021316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.021316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.021316 (E_RNA) where: Base-Base interactions energy: -219.833 where: short stacking energy: -114.130 Base-Backbone interact. energy: -1.105 local terms energy: -188.083493 where: bonds (distance) C4'-P energy: -53.125 bonds (distance) P-C4' energy: -43.547 flat angles C4'-P-C4' energy: -51.502 flat angles P-C4'-P energy: -38.394 tors. eta vs tors. theta energy: -1.515 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: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -303.649340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.649340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.649340 (E_RNA) where: Base-Base interactions energy: -113.538 where: short stacking energy: -93.955 Base-Backbone interact. energy: -1.900 local terms energy: -188.212114 where: bonds (distance) C4'-P energy: -44.957 bonds (distance) P-C4' energy: -48.452 flat angles C4'-P-C4' energy: -53.792 flat angles P-C4'-P energy: -27.700 tors. eta vs tors. theta energy: -13.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -293.282215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.282215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.282215 (E_RNA) where: Base-Base interactions energy: -105.584 where: short stacking energy: -77.020 Base-Backbone interact. energy: 0.866 local terms energy: -188.563865 where: bonds (distance) C4'-P energy: -50.811 bonds (distance) P-C4' energy: -66.074 flat angles C4'-P-C4' energy: -47.506 flat angles P-C4'-P energy: -27.697 tors. eta vs tors. theta energy: 3.525 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: 46 Temperature: 0.900000 Total energy: -1035.090139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.090139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.090139 (E_RNA) where: Base-Base interactions energy: -688.395 where: short stacking energy: -290.855 Base-Backbone interact. energy: -1.058 local terms energy: -345.636990 where: bonds (distance) C4'-P energy: -67.434 bonds (distance) P-C4' energy: -67.657 flat angles C4'-P-C4' energy: -74.523 flat angles P-C4'-P energy: -48.813 tors. eta vs tors. theta energy: -87.211 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: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -926.849765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.849765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.849765 (E_RNA) where: Base-Base interactions energy: -604.576 where: short stacking energy: -279.370 Base-Backbone interact. energy: -3.675 local terms energy: -318.598441 where: bonds (distance) C4'-P energy: -58.679 bonds (distance) P-C4' energy: -63.497 flat angles C4'-P-C4' energy: -67.244 flat angles P-C4'-P energy: -46.485 tors. eta vs tors. theta energy: -82.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -925.332414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.332414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.332414 (E_RNA) where: Base-Base interactions energy: -612.682 where: short stacking energy: -281.859 Base-Backbone interact. energy: -2.159 local terms energy: -310.491490 where: bonds (distance) C4'-P energy: -59.387 bonds (distance) P-C4' energy: -67.530 flat angles C4'-P-C4' energy: -68.832 flat angles P-C4'-P energy: -38.244 tors. eta vs tors. theta energy: -76.499 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: 46 Temperature: 1.050000 Total energy: -740.170189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.170189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.170189 (E_RNA) where: Base-Base interactions energy: -470.461 where: short stacking energy: -233.378 Base-Backbone interact. energy: -1.912 local terms energy: -267.796567 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -64.490 flat angles C4'-P-C4' energy: -54.765 flat angles P-C4'-P energy: -36.697 tors. eta vs tors. theta energy: -57.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -713.389637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.389637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.389637 (E_RNA) where: Base-Base interactions energy: -452.373 where: short stacking energy: -190.849 Base-Backbone interact. energy: -1.274 local terms energy: -259.742904 where: bonds (distance) C4'-P energy: -58.995 bonds (distance) P-C4' energy: -64.671 flat angles C4'-P-C4' energy: -54.110 flat angles P-C4'-P energy: -38.643 tors. eta vs tors. theta energy: -43.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -554.995255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.995255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.995255 (E_RNA) where: Base-Base interactions energy: -332.845 where: short stacking energy: -191.635 Base-Backbone interact. energy: -1.405 local terms energy: -220.745813 where: bonds (distance) C4'-P energy: -41.254 bonds (distance) P-C4' energy: -45.848 flat angles C4'-P-C4' energy: -58.433 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -34.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -454.738646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.738646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.738646 (E_RNA) where: Base-Base interactions energy: -244.108 where: short stacking energy: -159.436 Base-Backbone interact. energy: 0.082 local terms energy: -210.712348 where: bonds (distance) C4'-P energy: -53.360 bonds (distance) P-C4' energy: -52.930 flat angles C4'-P-C4' energy: -50.613 flat angles P-C4'-P energy: -25.192 tors. eta vs tors. theta energy: -28.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -441.395746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.395746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.395746 (E_RNA) where: Base-Base interactions energy: -249.110 where: short stacking energy: -117.865 Base-Backbone interact. energy: -1.006 local terms energy: -191.280247 where: bonds (distance) C4'-P energy: -49.563 bonds (distance) P-C4' energy: -52.616 flat angles C4'-P-C4' energy: -45.652 flat angles P-C4'-P energy: -39.438 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -315.111341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.111341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.111341 (E_RNA) where: Base-Base interactions energy: -130.415 where: short stacking energy: -101.450 Base-Backbone interact. energy: -0.174 local terms energy: -184.521701 where: bonds (distance) C4'-P energy: -49.188 bonds (distance) P-C4' energy: -53.377 flat angles C4'-P-C4' energy: -34.487 flat angles P-C4'-P energy: -34.559 tors. eta vs tors. theta energy: -12.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -271.258316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.258316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.258316 (E_RNA) where: Base-Base interactions energy: -85.528 where: short stacking energy: -78.545 Base-Backbone interact. energy: 0.339 local terms energy: -186.068831 where: bonds (distance) C4'-P energy: -66.131 bonds (distance) P-C4' energy: -61.448 flat angles C4'-P-C4' energy: -49.848 flat angles P-C4'-P energy: -18.732 tors. eta vs tors. theta energy: 10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1039.135563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.135563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.135563 (E_RNA) where: Base-Base interactions energy: -707.299 where: short stacking energy: -310.548 Base-Backbone interact. energy: -2.165 local terms energy: -329.671849 where: bonds (distance) C4'-P energy: -55.059 bonds (distance) P-C4' energy: -65.981 flat angles C4'-P-C4' energy: -72.489 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -88.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -917.757834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.757834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.757834 (E_RNA) where: Base-Base interactions energy: -595.173 where: short stacking energy: -280.981 Base-Backbone interact. energy: -2.798 local terms energy: -319.787296 where: bonds (distance) C4'-P energy: -67.585 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -72.522 flat angles P-C4'-P energy: -47.313 tors. eta vs tors. theta energy: -68.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -868.403216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.403216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.403216 (E_RNA) where: Base-Base interactions energy: -558.806 where: short stacking energy: -267.660 Base-Backbone interact. energy: -2.186 local terms energy: -307.410754 where: bonds (distance) C4'-P energy: -55.872 bonds (distance) P-C4' energy: -62.867 flat angles C4'-P-C4' energy: -59.277 flat angles P-C4'-P energy: -52.945 tors. eta vs tors. theta energy: -76.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -770.030211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.030211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.030211 (E_RNA) where: Base-Base interactions energy: -476.691 where: short stacking energy: -219.686 Base-Backbone interact. energy: 0.203 local terms energy: -293.542337 where: bonds (distance) C4'-P energy: -58.469 bonds (distance) P-C4' energy: -67.618 flat angles C4'-P-C4' energy: -60.647 flat angles P-C4'-P energy: -45.064 tors. eta vs tors. theta energy: -61.744 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: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -720.574195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.574195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.574195 (E_RNA) where: Base-Base interactions energy: -462.477 where: short stacking energy: -238.543 Base-Backbone interact. energy: 0.126 local terms energy: -258.223448 where: bonds (distance) C4'-P energy: -40.993 bonds (distance) P-C4' energy: -60.712 flat angles C4'-P-C4' energy: -60.036 flat angles P-C4'-P energy: -40.091 tors. eta vs tors. theta energy: -56.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -610.813180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.813180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.813180 (E_RNA) where: Base-Base interactions energy: -350.073 where: short stacking energy: -188.888 Base-Backbone interact. energy: -0.258 local terms energy: -260.482652 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -57.655 flat angles P-C4'-P energy: -36.210 tors. eta vs tors. theta energy: -48.449 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: 47 Temperature: 1.200000 Total energy: -466.006651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.006651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.006651 (E_RNA) where: Base-Base interactions energy: -256.727 where: short stacking energy: -152.402 Base-Backbone interact. energy: -0.162 local terms energy: -209.117514 where: bonds (distance) C4'-P energy: -54.611 bonds (distance) P-C4' energy: -53.329 flat angles C4'-P-C4' energy: -48.247 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -15.780 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: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -448.165438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.165438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.165438 (E_RNA) where: Base-Base interactions energy: -248.847 where: short stacking energy: -106.873 Base-Backbone interact. energy: 1.122 local terms energy: -200.439801 where: bonds (distance) C4'-P energy: -45.179 bonds (distance) P-C4' energy: -68.316 flat angles C4'-P-C4' energy: -57.003 flat angles P-C4'-P energy: -29.135 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -271.324010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.324010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.324010 (E_RNA) where: Base-Base interactions energy: -99.792 where: short stacking energy: -90.334 Base-Backbone interact. energy: 1.584 local terms energy: -173.116727 where: bonds (distance) C4'-P energy: -50.342 bonds (distance) P-C4' energy: -54.180 flat angles C4'-P-C4' energy: -43.145 flat angles P-C4'-P energy: -26.457 tors. eta vs tors. theta energy: 1.008 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: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -285.673889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.673889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.673889 (E_RNA) where: Base-Base interactions energy: -99.032 where: short stacking energy: -96.120 Base-Backbone interact. energy: 1.429 local terms energy: -188.070872 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -64.415 flat angles C4'-P-C4' energy: -38.801 flat angles P-C4'-P energy: -24.489 tors. eta vs tors. theta energy: -6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1054.656821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.656821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.656821 (E_RNA) where: Base-Base interactions energy: -713.844 where: short stacking energy: -305.242 Base-Backbone interact. energy: -0.858 local terms energy: -339.954480 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -67.020 flat angles C4'-P-C4' energy: -76.963 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -90.604 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: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -930.824922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.824922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.824922 (E_RNA) where: Base-Base interactions energy: -618.541 where: short stacking energy: -296.408 Base-Backbone interact. energy: 0.330 local terms energy: -312.614720 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -71.601 flat angles P-C4'-P energy: -43.605 tors. eta vs tors. theta energy: -74.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -876.737612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.737612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.737612 (E_RNA) where: Base-Base interactions energy: -574.565 where: short stacking energy: -274.161 Base-Backbone interact. energy: -0.047 local terms energy: -302.125587 where: bonds (distance) C4'-P energy: -57.007 bonds (distance) P-C4' energy: -63.330 flat angles C4'-P-C4' energy: -67.850 flat angles P-C4'-P energy: -36.709 tors. eta vs tors. theta energy: -77.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -801.055679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.055679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.055679 (E_RNA) where: Base-Base interactions energy: -498.443 where: short stacking energy: -222.888 Base-Backbone interact. energy: 0.069 local terms energy: -302.682227 where: bonds (distance) C4'-P energy: -54.231 bonds (distance) P-C4' energy: -68.689 flat angles C4'-P-C4' energy: -69.668 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -64.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -739.269993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.269993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.269993 (E_RNA) where: Base-Base interactions energy: -462.536 where: short stacking energy: -223.825 Base-Backbone interact. energy: -0.761 local terms energy: -275.973385 where: bonds (distance) C4'-P energy: -52.713 bonds (distance) P-C4' energy: -64.933 flat angles C4'-P-C4' energy: -62.138 flat angles P-C4'-P energy: -41.962 tors. eta vs tors. theta energy: -54.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -590.524126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.524126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.524126 (E_RNA) where: Base-Base interactions energy: -337.828 where: short stacking energy: -166.612 Base-Backbone interact. energy: 1.301 local terms energy: -253.997496 where: bonds (distance) C4'-P energy: -59.758 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -52.145 flat angles P-C4'-P energy: -37.055 tors. eta vs tors. theta energy: -38.343 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: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -573.064284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.064284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.064284 (E_RNA) where: Base-Base interactions energy: -326.519 where: short stacking energy: -169.822 Base-Backbone interact. energy: 0.731 local terms energy: -247.276264 where: bonds (distance) C4'-P energy: -50.566 bonds (distance) P-C4' energy: -62.469 flat angles C4'-P-C4' energy: -59.040 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -30.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -411.266178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.266178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.266178 (E_RNA) where: Base-Base interactions energy: -208.975 where: short stacking energy: -121.928 Base-Backbone interact. energy: -0.120 local terms energy: -202.171316 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -49.462 flat angles C4'-P-C4' energy: -48.537 flat angles P-C4'-P energy: -27.833 tors. eta vs tors. theta energy: -15.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -281.157179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.157179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.157179 (E_RNA) where: Base-Base interactions energy: -112.815 where: short stacking energy: -78.157 Base-Backbone interact. energy: -1.000 local terms energy: -167.341871 where: bonds (distance) C4'-P energy: -49.665 bonds (distance) P-C4' energy: -53.261 flat angles C4'-P-C4' energy: -53.802 flat angles P-C4'-P energy: -21.642 tors. eta vs tors. theta energy: 11.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -265.527265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.527265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.527265 (E_RNA) where: Base-Base interactions energy: -84.176 where: short stacking energy: -81.894 Base-Backbone interact. energy: 1.977 local terms energy: -183.328228 where: bonds (distance) C4'-P energy: -53.230 bonds (distance) P-C4' energy: -55.404 flat angles C4'-P-C4' energy: -39.607 flat angles P-C4'-P energy: -29.839 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1035.554321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.554321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.554321 (E_RNA) where: Base-Base interactions energy: -709.899 where: short stacking energy: -313.725 Base-Backbone interact. energy: 2.013 local terms energy: -327.668924 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -68.246 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -85.795 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: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -916.802168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.802168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.802168 (E_RNA) where: Base-Base interactions energy: -589.813 where: short stacking energy: -283.404 Base-Backbone interact. energy: 0.322 local terms energy: -327.310820 where: bonds (distance) C4'-P energy: -71.219 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -72.586 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -73.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -889.712186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.712186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.712186 (E_RNA) where: Base-Base interactions energy: -585.727 where: short stacking energy: -265.384 Base-Backbone interact. energy: -0.993 local terms energy: -302.991478 where: bonds (distance) C4'-P energy: -57.868 bonds (distance) P-C4' energy: -64.390 flat angles C4'-P-C4' energy: -64.643 flat angles P-C4'-P energy: -37.183 tors. eta vs tors. theta energy: -78.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -831.432649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.432649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.432649 (E_RNA) where: Base-Base interactions energy: -537.285 where: short stacking energy: -239.351 Base-Backbone interact. energy: -0.945 local terms energy: -293.203158 where: bonds (distance) C4'-P energy: -54.837 bonds (distance) P-C4' energy: -62.455 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -48.152 tors. eta vs tors. theta energy: -62.336 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: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -716.441703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.441703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.441703 (E_RNA) where: Base-Base interactions energy: -451.280 where: short stacking energy: -218.521 Base-Backbone interact. energy: 1.331 local terms energy: -266.493099 where: bonds (distance) C4'-P energy: -49.520 bonds (distance) P-C4' energy: -58.923 flat angles C4'-P-C4' energy: -69.702 flat angles P-C4'-P energy: -38.471 tors. eta vs tors. theta energy: -49.877 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: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -603.556698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.556698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.556698 (E_RNA) where: Base-Base interactions energy: -360.465 where: short stacking energy: -178.967 Base-Backbone interact. energy: 0.408 local terms energy: -243.499049 where: bonds (distance) C4'-P energy: -59.904 bonds (distance) P-C4' energy: -62.618 flat angles C4'-P-C4' energy: -54.291 flat angles P-C4'-P energy: -33.842 tors. eta vs tors. theta energy: -32.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -531.349267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.349267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.349267 (E_RNA) where: Base-Base interactions energy: -325.027 where: short stacking energy: -171.327 Base-Backbone interact. energy: 2.752 local terms energy: -209.074542 where: bonds (distance) C4'-P energy: -55.064 bonds (distance) P-C4' energy: -49.504 flat angles C4'-P-C4' energy: -56.908 flat angles P-C4'-P energy: -27.798 tors. eta vs tors. theta energy: -19.801 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: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -458.947836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.947836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.947836 (E_RNA) where: Base-Base interactions energy: -244.169 where: short stacking energy: -134.328 Base-Backbone interact. energy: 1.867 local terms energy: -216.645717 where: bonds (distance) C4'-P energy: -46.577 bonds (distance) P-C4' energy: -63.846 flat angles C4'-P-C4' energy: -53.669 flat angles P-C4'-P energy: -29.046 tors. eta vs tors. theta energy: -23.508 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: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -287.920174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.920174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.920174 (E_RNA) where: Base-Base interactions energy: -93.557 where: short stacking energy: -75.556 Base-Backbone interact. energy: -0.863 local terms energy: -193.500437 where: bonds (distance) C4'-P energy: -56.019 bonds (distance) P-C4' energy: -58.835 flat angles C4'-P-C4' energy: -43.195 flat angles P-C4'-P energy: -36.276 tors. eta vs tors. theta energy: 0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -264.455442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.455442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.455442 (E_RNA) where: Base-Base interactions energy: -101.289 where: short stacking energy: -80.533 Base-Backbone interact. energy: -1.959 local terms energy: -161.207662 where: bonds (distance) C4'-P energy: -43.666 bonds (distance) P-C4' energy: -52.823 flat angles C4'-P-C4' energy: -42.984 flat angles P-C4'-P energy: -31.648 tors. eta vs tors. theta energy: 9.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1057.801073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.801073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.801073 (E_RNA) where: Base-Base interactions energy: -729.915 where: short stacking energy: -308.406 Base-Backbone interact. energy: -1.939 local terms energy: -325.947205 where: bonds (distance) C4'-P energy: -53.207 bonds (distance) P-C4' energy: -67.166 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -46.944 tors. eta vs tors. theta energy: -86.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -910.958031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.958031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.958031 (E_RNA) where: Base-Base interactions energy: -604.870 where: short stacking energy: -272.398 Base-Backbone interact. energy: -1.401 local terms energy: -304.686416 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -57.601 flat angles C4'-P-C4' energy: -70.496 flat angles P-C4'-P energy: -50.399 tors. eta vs tors. theta energy: -70.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -905.735283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.735283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.735283 (E_RNA) where: Base-Base interactions energy: -583.725 where: short stacking energy: -300.763 Base-Backbone interact. energy: 0.066 local terms energy: -322.076728 where: bonds (distance) C4'-P energy: -57.298 bonds (distance) P-C4' energy: -64.495 flat angles C4'-P-C4' energy: -62.135 flat angles P-C4'-P energy: -51.991 tors. eta vs tors. theta energy: -86.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -817.806996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.806996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.806996 (E_RNA) where: Base-Base interactions energy: -549.047 where: short stacking energy: -251.682 Base-Backbone interact. energy: -0.707 local terms energy: -268.052037 where: bonds (distance) C4'-P energy: -56.422 bonds (distance) P-C4' energy: -52.932 flat angles C4'-P-C4' energy: -70.285 flat angles P-C4'-P energy: -29.910 tors. eta vs tors. theta energy: -58.503 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: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -734.494089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.494089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.494089 (E_RNA) where: Base-Base interactions energy: -466.608 where: short stacking energy: -232.460 Base-Backbone interact. energy: 1.532 local terms energy: -269.417720 where: bonds (distance) C4'-P energy: -53.659 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -50.983 flat angles P-C4'-P energy: -33.701 tors. eta vs tors. theta energy: -68.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -659.659235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.659235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.659235 (E_RNA) where: Base-Base interactions energy: -386.115 where: short stacking energy: -205.481 Base-Backbone interact. energy: -0.507 local terms energy: -273.037006 where: bonds (distance) C4'-P energy: -59.184 bonds (distance) P-C4' energy: -49.542 flat angles C4'-P-C4' energy: -66.044 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -53.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -591.434212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.434212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.434212 (E_RNA) where: Base-Base interactions energy: -344.408 where: short stacking energy: -160.359 Base-Backbone interact. energy: 0.110 local terms energy: -247.135536 where: bonds (distance) C4'-P energy: -63.361 bonds (distance) P-C4' energy: -62.253 flat angles C4'-P-C4' energy: -57.633 flat angles P-C4'-P energy: -28.705 tors. eta vs tors. theta energy: -35.184 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: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -469.574284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.574284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.574284 (E_RNA) where: Base-Base interactions energy: -270.525 where: short stacking energy: -170.098 Base-Backbone interact. energy: -0.392 local terms energy: -198.657500 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -39.495 flat angles C4'-P-C4' energy: -63.957 flat angles P-C4'-P energy: -19.698 tors. eta vs tors. theta energy: -18.040 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: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -281.511157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.511157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.511157 (E_RNA) where: Base-Base interactions energy: -103.823 where: short stacking energy: -82.855 Base-Backbone interact. energy: 0.480 local terms energy: -178.167649 where: bonds (distance) C4'-P energy: -63.054 bonds (distance) P-C4' energy: -60.475 flat angles C4'-P-C4' energy: -49.407 flat angles P-C4'-P energy: -14.834 tors. eta vs tors. theta energy: 9.602 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: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -283.948223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.948223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.948223 (E_RNA) where: Base-Base interactions energy: -122.808 where: short stacking energy: -84.348 Base-Backbone interact. energy: 1.529 local terms energy: -162.669370 where: bonds (distance) C4'-P energy: -44.838 bonds (distance) P-C4' energy: -44.823 flat angles C4'-P-C4' energy: -40.741 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: 3.233 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: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1050.263879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.263879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.263879 (E_RNA) where: Base-Base interactions energy: -714.018 where: short stacking energy: -319.556 Base-Backbone interact. energy: -1.093 local terms energy: -335.152310 where: bonds (distance) C4'-P energy: -59.385 bonds (distance) P-C4' energy: -56.558 flat angles C4'-P-C4' energy: -78.566 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -92.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -975.685976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.685976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.685976 (E_RNA) where: Base-Base interactions energy: -647.214 where: short stacking energy: -296.763 Base-Backbone interact. energy: -1.028 local terms energy: -327.443845 where: bonds (distance) C4'-P energy: -56.233 bonds (distance) P-C4' energy: -64.590 flat angles C4'-P-C4' energy: -64.275 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -90.106 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: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -884.082175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.082175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.082175 (E_RNA) where: Base-Base interactions energy: -579.983 where: short stacking energy: -257.493 Base-Backbone interact. energy: -1.846 local terms energy: -302.252845 where: bonds (distance) C4'-P energy: -59.291 bonds (distance) P-C4' energy: -72.503 flat angles C4'-P-C4' energy: -61.213 flat angles P-C4'-P energy: -42.452 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: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -816.946503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.946503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.946503 (E_RNA) where: Base-Base interactions energy: -560.898 where: short stacking energy: -232.736 Base-Backbone interact. energy: 0.789 local terms energy: -256.837807 where: bonds (distance) C4'-P energy: -56.927 bonds (distance) P-C4' energy: -53.693 flat angles C4'-P-C4' energy: -67.311 flat angles P-C4'-P energy: -31.050 tors. eta vs tors. theta energy: -47.856 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: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -775.767331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.767331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.767331 (E_RNA) where: Base-Base interactions energy: -486.518 where: short stacking energy: -234.476 Base-Backbone interact. energy: 1.070 local terms energy: -290.318654 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -59.379 flat angles C4'-P-C4' energy: -51.144 flat angles P-C4'-P energy: -41.472 tors. eta vs tors. theta energy: -69.040 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: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -660.931018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.931018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.931018 (E_RNA) where: Base-Base interactions energy: -410.144 where: short stacking energy: -200.924 Base-Backbone interact. energy: -0.930 local terms energy: -249.856267 where: bonds (distance) C4'-P energy: -51.619 bonds (distance) P-C4' energy: -53.849 flat angles C4'-P-C4' energy: -55.518 flat angles P-C4'-P energy: -38.748 tors. eta vs tors. theta energy: -50.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -594.681270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.681270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.681270 (E_RNA) where: Base-Base interactions energy: -373.793 where: short stacking energy: -175.352 Base-Backbone interact. energy: -2.058 local terms energy: -218.830870 where: bonds (distance) C4'-P energy: -48.490 bonds (distance) P-C4' energy: -46.610 flat angles C4'-P-C4' energy: -59.541 flat angles P-C4'-P energy: -38.726 tors. eta vs tors. theta energy: -25.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -426.590557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.590557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.590557 (E_RNA) where: Base-Base interactions energy: -225.572 where: short stacking energy: -109.972 Base-Backbone interact. energy: 1.354 local terms energy: -202.372682 where: bonds (distance) C4'-P energy: -54.005 bonds (distance) P-C4' energy: -60.698 flat angles C4'-P-C4' energy: -52.394 flat angles P-C4'-P energy: -26.658 tors. eta vs tors. theta energy: -8.618 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: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -320.429705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.429705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.429705 (E_RNA) where: Base-Base interactions energy: -136.338 where: short stacking energy: -76.376 Base-Backbone interact. energy: -1.419 local terms energy: -182.672997 where: bonds (distance) C4'-P energy: -49.483 bonds (distance) P-C4' energy: -54.820 flat angles C4'-P-C4' energy: -52.640 flat angles P-C4'-P energy: -24.814 tors. eta vs tors. theta energy: -0.916 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: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -282.980136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.980136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.980136 (E_RNA) where: Base-Base interactions energy: -118.583 where: short stacking energy: -89.025 Base-Backbone interact. energy: 0.163 local terms energy: -164.560774 where: bonds (distance) C4'-P energy: -49.217 bonds (distance) P-C4' energy: -49.634 flat angles C4'-P-C4' energy: -47.127 flat angles P-C4'-P energy: -25.638 tors. eta vs tors. theta energy: 7.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1054.610958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.610958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.610958 (E_RNA) where: Base-Base interactions energy: -726.170 where: short stacking energy: -312.264 Base-Backbone interact. energy: -0.109 local terms energy: -328.331880 where: bonds (distance) C4'-P energy: -54.919 bonds (distance) P-C4' energy: -72.263 flat angles C4'-P-C4' energy: -75.447 flat angles P-C4'-P energy: -46.780 tors. eta vs tors. theta energy: -78.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -988.919952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.919952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.919952 (E_RNA) where: Base-Base interactions energy: -659.194 where: short stacking energy: -317.116 Base-Backbone interact. energy: 1.708 local terms energy: -331.433366 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -60.176 flat angles C4'-P-C4' energy: -71.712 flat angles P-C4'-P energy: -43.840 tors. eta vs tors. theta energy: -91.636 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: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -851.984786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.984786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.984786 (E_RNA) where: Base-Base interactions energy: -554.075 where: short stacking energy: -250.074 Base-Backbone interact. energy: -2.075 local terms energy: -295.834861 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -68.300 flat angles C4'-P-C4' energy: -67.427 flat angles P-C4'-P energy: -40.394 tors. eta vs tors. theta energy: -56.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -827.011255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.011255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.011255 (E_RNA) where: Base-Base interactions energy: -540.695 where: short stacking energy: -248.703 Base-Backbone interact. energy: -1.280 local terms energy: -285.036426 where: bonds (distance) C4'-P energy: -57.451 bonds (distance) P-C4' energy: -58.933 flat angles C4'-P-C4' energy: -66.696 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: -60.830 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: 52 Temperature: 1.100000 Total energy: -775.822934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.822934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.822934 (E_RNA) where: Base-Base interactions energy: -501.587 where: short stacking energy: -235.077 Base-Backbone interact. energy: -1.063 local terms energy: -273.172904 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -65.188 flat angles P-C4'-P energy: -36.533 tors. eta vs tors. theta energy: -55.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -638.109853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.109853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.109853 (E_RNA) where: Base-Base interactions energy: -387.795 where: short stacking energy: -199.022 Base-Backbone interact. energy: 1.166 local terms energy: -251.480419 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -51.980 flat angles C4'-P-C4' energy: -57.833 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -50.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -598.698853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.698853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.698853 (E_RNA) where: Base-Base interactions energy: -349.886 where: short stacking energy: -153.101 Base-Backbone interact. energy: -2.723 local terms energy: -246.089300 where: bonds (distance) C4'-P energy: -53.703 bonds (distance) P-C4' energy: -59.612 flat angles C4'-P-C4' energy: -58.770 flat angles P-C4'-P energy: -38.047 tors. eta vs tors. theta energy: -35.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -455.166624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.166624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.166624 (E_RNA) where: Base-Base interactions energy: -228.051 where: short stacking energy: -125.681 Base-Backbone interact. energy: -1.622 local terms energy: -225.493267 where: bonds (distance) C4'-P energy: -56.351 bonds (distance) P-C4' energy: -65.480 flat angles C4'-P-C4' energy: -43.315 flat angles P-C4'-P energy: -36.867 tors. eta vs tors. theta energy: -23.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -302.900706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.900706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.900706 (E_RNA) where: Base-Base interactions energy: -119.649 where: short stacking energy: -112.914 Base-Backbone interact. energy: -1.561 local terms energy: -181.690378 where: bonds (distance) C4'-P energy: -55.372 bonds (distance) P-C4' energy: -53.215 flat angles C4'-P-C4' energy: -41.493 flat angles P-C4'-P energy: -31.063 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -258.224454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.224454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.224454 (E_RNA) where: Base-Base interactions energy: -98.245 where: short stacking energy: -75.215 Base-Backbone interact. energy: 1.518 local terms energy: -161.496892 where: bonds (distance) C4'-P energy: -46.335 bonds (distance) P-C4' energy: -55.938 flat angles C4'-P-C4' energy: -48.988 flat angles P-C4'-P energy: -27.570 tors. eta vs tors. theta energy: 17.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1060.138538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.138538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.138538 (E_RNA) where: Base-Base interactions energy: -723.413 where: short stacking energy: -304.671 Base-Backbone interact. energy: -2.784 local terms energy: -333.941415 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -67.013 flat angles C4'-P-C4' energy: -66.644 flat angles P-C4'-P energy: -53.635 tors. eta vs tors. theta energy: -86.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -982.626017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.626017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.626017 (E_RNA) where: Base-Base interactions energy: -660.938 where: short stacking energy: -299.298 Base-Backbone interact. energy: 0.856 local terms energy: -322.543686 where: bonds (distance) C4'-P energy: -53.591 bonds (distance) P-C4' energy: -66.384 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -44.778 tors. eta vs tors. theta energy: -84.722 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: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -906.409052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.409052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.409052 (E_RNA) where: Base-Base interactions energy: -601.704 where: short stacking energy: -254.742 Base-Backbone interact. energy: -1.213 local terms energy: -303.491696 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -61.240 flat angles C4'-P-C4' energy: -65.472 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -71.502 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: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -853.877743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.877743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.877743 (E_RNA) where: Base-Base interactions energy: -562.596 where: short stacking energy: -252.465 Base-Backbone interact. energy: -0.207 local terms energy: -291.074776 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -57.844 flat angles C4'-P-C4' energy: -61.098 flat angles P-C4'-P energy: -45.609 tors. eta vs tors. theta energy: -61.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -749.235699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.235699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.235699 (E_RNA) where: Base-Base interactions energy: -480.140 where: short stacking energy: -213.143 Base-Backbone interact. energy: -2.306 local terms energy: -266.789018 where: bonds (distance) C4'-P energy: -57.054 bonds (distance) P-C4' energy: -55.319 flat angles C4'-P-C4' energy: -54.809 flat angles P-C4'-P energy: -40.146 tors. eta vs tors. theta energy: -59.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -685.480095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.480095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.480095 (E_RNA) where: Base-Base interactions energy: -437.875 where: short stacking energy: -200.517 Base-Backbone interact. energy: 7.281 local terms energy: -254.886265 where: bonds (distance) C4'-P energy: -55.045 bonds (distance) P-C4' energy: -55.692 flat angles C4'-P-C4' energy: -59.549 flat angles P-C4'-P energy: -36.764 tors. eta vs tors. theta energy: -47.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -603.376331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.376331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.376331 (E_RNA) where: Base-Base interactions energy: -369.872 where: short stacking energy: -188.533 Base-Backbone interact. energy: 7.280 local terms energy: -240.784919 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -52.429 flat angles C4'-P-C4' energy: -54.864 flat angles P-C4'-P energy: -42.924 tors. eta vs tors. theta energy: -33.064 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: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -464.535021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.535021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.535021 (E_RNA) where: Base-Base interactions energy: -275.915 where: short stacking energy: -150.816 Base-Backbone interact. energy: 3.788 local terms energy: -192.407809 where: bonds (distance) C4'-P energy: -48.781 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -49.940 flat angles P-C4'-P energy: -19.297 tors. eta vs tors. theta energy: -18.533 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: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -292.118111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.118111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.118111 (E_RNA) where: Base-Base interactions energy: -133.882 where: short stacking energy: -84.019 Base-Backbone interact. energy: 0.570 local terms energy: -158.805766 where: bonds (distance) C4'-P energy: -30.323 bonds (distance) P-C4' energy: -57.376 flat angles C4'-P-C4' energy: -49.040 flat angles P-C4'-P energy: -27.323 tors. eta vs tors. theta energy: 5.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -264.119402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.119402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.119402 (E_RNA) where: Base-Base interactions energy: -85.007 where: short stacking energy: -63.236 Base-Backbone interact. energy: 1.998 local terms energy: -181.110344 where: bonds (distance) C4'-P energy: -47.517 bonds (distance) P-C4' energy: -50.162 flat angles C4'-P-C4' energy: -54.569 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: 9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1035.185635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.185635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.185635 (E_RNA) where: Base-Base interactions energy: -703.154 where: short stacking energy: -314.258 Base-Backbone interact. energy: -0.724 local terms energy: -331.306951 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -66.167 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -88.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1009.775114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.775114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.775114 (E_RNA) where: Base-Base interactions energy: -672.849 where: short stacking energy: -302.125 Base-Backbone interact. energy: -0.659 local terms energy: -336.267306 where: bonds (distance) C4'-P energy: -61.012 bonds (distance) P-C4' energy: -62.052 flat angles C4'-P-C4' energy: -76.779 flat angles P-C4'-P energy: -42.618 tors. eta vs tors. theta energy: -93.806 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: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -876.645780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.645780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.645780 (E_RNA) where: Base-Base interactions energy: -581.446 where: short stacking energy: -255.917 Base-Backbone interact. energy: -1.478 local terms energy: -293.722134 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -62.000 flat angles C4'-P-C4' energy: -62.394 flat angles P-C4'-P energy: -43.826 tors. eta vs tors. theta energy: -64.502 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: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -902.647819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.647819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.647819 (E_RNA) where: Base-Base interactions energy: -613.938 where: short stacking energy: -252.389 Base-Backbone interact. energy: -0.889 local terms energy: -287.821123 where: bonds (distance) C4'-P energy: -68.613 bonds (distance) P-C4' energy: -54.439 flat angles C4'-P-C4' energy: -58.277 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -68.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -790.772836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.772836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.772836 (E_RNA) where: Base-Base interactions energy: -504.869 where: short stacking energy: -233.281 Base-Backbone interact. energy: 0.961 local terms energy: -286.865063 where: bonds (distance) C4'-P energy: -66.437 bonds (distance) P-C4' energy: -60.448 flat angles C4'-P-C4' energy: -64.527 flat angles P-C4'-P energy: -38.814 tors. eta vs tors. theta energy: -56.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -697.060541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.060541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.060541 (E_RNA) where: Base-Base interactions energy: -440.728 where: short stacking energy: -216.660 Base-Backbone interact. energy: -1.752 local terms energy: -254.580127 where: bonds (distance) C4'-P energy: -54.141 bonds (distance) P-C4' energy: -57.926 flat angles C4'-P-C4' energy: -59.333 flat angles P-C4'-P energy: -33.046 tors. eta vs tors. theta energy: -50.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -607.323532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.323532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.323532 (E_RNA) where: Base-Base interactions energy: -362.630 where: short stacking energy: -164.262 Base-Backbone interact. energy: -0.849 local terms energy: -243.844362 where: bonds (distance) C4'-P energy: -43.700 bonds (distance) P-C4' energy: -73.404 flat angles C4'-P-C4' energy: -51.994 flat angles P-C4'-P energy: -41.845 tors. eta vs tors. theta energy: -32.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -460.961291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.961291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.961291 (E_RNA) where: Base-Base interactions energy: -252.272 where: short stacking energy: -137.940 Base-Backbone interact. energy: -0.399 local terms energy: -208.290466 where: bonds (distance) C4'-P energy: -55.236 bonds (distance) P-C4' energy: -48.708 flat angles C4'-P-C4' energy: -52.017 flat angles P-C4'-P energy: -24.718 tors. eta vs tors. theta energy: -27.611 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: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -312.731955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.731955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.731955 (E_RNA) where: Base-Base interactions energy: -131.806 where: short stacking energy: -109.835 Base-Backbone interact. energy: 4.245 local terms energy: -185.171033 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -53.854 flat angles C4'-P-C4' energy: -41.179 flat angles P-C4'-P energy: -30.847 tors. eta vs tors. theta energy: -0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -311.949290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.949290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.949290 (E_RNA) where: Base-Base interactions energy: -135.364 where: short stacking energy: -83.695 Base-Backbone interact. energy: 1.569 local terms energy: -178.154852 where: bonds (distance) C4'-P energy: -57.518 bonds (distance) P-C4' energy: -61.393 flat angles C4'-P-C4' energy: -44.237 flat angles P-C4'-P energy: -22.152 tors. eta vs tors. theta energy: 7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1049.411199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.411199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.411199 (E_RNA) where: Base-Base interactions energy: -710.969 where: short stacking energy: -317.626 Base-Backbone interact. energy: -1.867 local terms energy: -336.575963 where: bonds (distance) C4'-P energy: -69.433 bonds (distance) P-C4' energy: -63.665 flat angles C4'-P-C4' energy: -69.992 flat angles P-C4'-P energy: -48.302 tors. eta vs tors. theta energy: -85.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1010.224898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.224898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.224898 (E_RNA) where: Base-Base interactions energy: -670.544 where: short stacking energy: -313.293 Base-Backbone interact. energy: -1.385 local terms energy: -338.296680 where: bonds (distance) C4'-P energy: -63.459 bonds (distance) P-C4' energy: -65.808 flat angles C4'-P-C4' energy: -72.195 flat angles P-C4'-P energy: -50.606 tors. eta vs tors. theta energy: -86.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -888.388832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.388832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.388832 (E_RNA) where: Base-Base interactions energy: -592.830 where: short stacking energy: -254.569 Base-Backbone interact. energy: -1.924 local terms energy: -293.634174 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -68.488 flat angles C4'-P-C4' energy: -67.701 flat angles P-C4'-P energy: -42.823 tors. eta vs tors. theta energy: -58.964 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: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -891.475331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.475331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.475331 (E_RNA) where: Base-Base interactions energy: -612.592 where: short stacking energy: -250.920 Base-Backbone interact. energy: -0.340 local terms energy: -278.543282 where: bonds (distance) C4'-P energy: -54.791 bonds (distance) P-C4' energy: -55.765 flat angles C4'-P-C4' energy: -69.267 flat angles P-C4'-P energy: -36.794 tors. eta vs tors. theta energy: -61.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -752.442044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.442044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.442044 (E_RNA) where: Base-Base interactions energy: -483.706 where: short stacking energy: -233.621 Base-Backbone interact. energy: 0.949 local terms energy: -269.685200 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -59.195 flat angles P-C4'-P energy: -40.397 tors. eta vs tors. theta energy: -50.685 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: 55 Temperature: 1.150000 Total energy: -719.798186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.798186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.798186 (E_RNA) where: Base-Base interactions energy: -449.972 where: short stacking energy: -230.268 Base-Backbone interact. energy: 0.532 local terms energy: -270.357655 where: bonds (distance) C4'-P energy: -57.525 bonds (distance) P-C4' energy: -54.807 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -39.340 tors. eta vs tors. theta energy: -57.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -686.816205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.816205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.816205 (E_RNA) where: Base-Base interactions energy: -459.665 where: short stacking energy: -209.714 Base-Backbone interact. energy: -1.870 local terms energy: -225.280773 where: bonds (distance) C4'-P energy: -47.359 bonds (distance) P-C4' energy: -53.535 flat angles C4'-P-C4' energy: -49.103 flat angles P-C4'-P energy: -29.439 tors. eta vs tors. theta energy: -45.845 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: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -457.602588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.602588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.602588 (E_RNA) where: Base-Base interactions energy: -255.132 where: short stacking energy: -132.609 Base-Backbone interact. energy: -0.806 local terms energy: -201.664627 where: bonds (distance) C4'-P energy: -41.640 bonds (distance) P-C4' energy: -59.599 flat angles C4'-P-C4' energy: -53.547 flat angles P-C4'-P energy: -38.688 tors. eta vs tors. theta energy: -8.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -314.402379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.402379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.402379 (E_RNA) where: Base-Base interactions energy: -130.397 where: short stacking energy: -76.329 Base-Backbone interact. energy: 1.897 local terms energy: -185.901719 where: bonds (distance) C4'-P energy: -50.302 bonds (distance) P-C4' energy: -61.320 flat angles C4'-P-C4' energy: -56.018 flat angles P-C4'-P energy: -35.531 tors. eta vs tors. theta energy: 17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -267.845067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.845067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.845067 (E_RNA) where: Base-Base interactions energy: -91.973 where: short stacking energy: -89.545 Base-Backbone interact. energy: -0.883 local terms energy: -174.989339 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -52.423 flat angles C4'-P-C4' energy: -53.919 flat angles P-C4'-P energy: -16.616 tors. eta vs tors. theta energy: 6.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1031.260474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.260474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.260474 (E_RNA) where: Base-Base interactions energy: -698.356 where: short stacking energy: -320.554 Base-Backbone interact. energy: -3.325 local terms energy: -329.579614 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -66.082 flat angles C4'-P-C4' energy: -70.182 flat angles P-C4'-P energy: -50.961 tors. eta vs tors. theta energy: -84.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1024.045314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.045314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.045314 (E_RNA) where: Base-Base interactions energy: -692.148 where: short stacking energy: -310.491 Base-Backbone interact. energy: -0.701 local terms energy: -331.196422 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -65.246 flat angles C4'-P-C4' energy: -67.065 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -85.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -885.949028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.949028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.949028 (E_RNA) where: Base-Base interactions energy: -599.763 where: short stacking energy: -260.662 Base-Backbone interact. energy: -0.573 local terms energy: -285.612989 where: bonds (distance) C4'-P energy: -57.428 bonds (distance) P-C4' energy: -60.757 flat angles C4'-P-C4' energy: -71.067 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: -59.104 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: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -866.518920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.518920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.518920 (E_RNA) where: Base-Base interactions energy: -582.524 where: short stacking energy: -272.067 Base-Backbone interact. energy: -0.813 local terms energy: -283.182161 where: bonds (distance) C4'-P energy: -61.941 bonds (distance) P-C4' energy: -53.283 flat angles C4'-P-C4' energy: -70.985 flat angles P-C4'-P energy: -30.343 tors. eta vs tors. theta energy: -66.631 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: 56 Temperature: 1.100000 Total energy: -738.203745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.203745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.203745 (E_RNA) where: Base-Base interactions energy: -470.881 where: short stacking energy: -221.718 Base-Backbone interact. energy: -0.067 local terms energy: -267.255648 where: bonds (distance) C4'-P energy: -61.815 bonds (distance) P-C4' energy: -62.698 flat angles C4'-P-C4' energy: -62.095 flat angles P-C4'-P energy: -21.503 tors. eta vs tors. theta energy: -59.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -726.577061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.577061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.577061 (E_RNA) where: Base-Base interactions energy: -485.987 where: short stacking energy: -245.356 Base-Backbone interact. energy: -0.496 local terms energy: -240.094312 where: bonds (distance) C4'-P energy: -47.089 bonds (distance) P-C4' energy: -40.121 flat angles C4'-P-C4' energy: -63.910 flat angles P-C4'-P energy: -35.762 tors. eta vs tors. theta energy: -53.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -689.921732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.921732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.921732 (E_RNA) where: Base-Base interactions energy: -442.240 where: short stacking energy: -209.012 Base-Backbone interact. energy: 1.624 local terms energy: -249.305987 where: bonds (distance) C4'-P energy: -53.663 bonds (distance) P-C4' energy: -64.741 flat angles C4'-P-C4' energy: -58.952 flat angles P-C4'-P energy: -25.749 tors. eta vs tors. theta energy: -46.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -439.179509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.179509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.179509 (E_RNA) where: Base-Base interactions energy: -229.158 where: short stacking energy: -144.246 Base-Backbone interact. energy: -0.972 local terms energy: -209.049805 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -56.182 flat angles C4'-P-C4' energy: -51.684 flat angles P-C4'-P energy: -34.247 tors. eta vs tors. theta energy: -13.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -381.114440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.114440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.114440 (E_RNA) where: Base-Base interactions energy: -197.411 where: short stacking energy: -105.740 Base-Backbone interact. energy: -0.009 local terms energy: -183.693772 where: bonds (distance) C4'-P energy: -60.450 bonds (distance) P-C4' energy: -59.011 flat angles C4'-P-C4' energy: -29.991 flat angles P-C4'-P energy: -33.354 tors. eta vs tors. theta energy: -0.888 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: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -281.199225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.199225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.199225 (E_RNA) where: Base-Base interactions energy: -106.302 where: short stacking energy: -90.430 Base-Backbone interact. energy: -0.626 local terms energy: -174.270923 where: bonds (distance) C4'-P energy: -46.719 bonds (distance) P-C4' energy: -52.649 flat angles C4'-P-C4' energy: -41.684 flat angles P-C4'-P energy: -37.980 tors. eta vs tors. theta energy: 4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1047.150104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.150104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.150104 (E_RNA) where: Base-Base interactions energy: -707.151 where: short stacking energy: -334.654 Base-Backbone interact. energy: -0.741 local terms energy: -339.258387 where: bonds (distance) C4'-P energy: -63.605 bonds (distance) P-C4' energy: -64.299 flat angles C4'-P-C4' energy: -68.784 flat angles P-C4'-P energy: -45.990 tors. eta vs tors. theta energy: -96.581 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: 57 Temperature: 0.950000 Total energy: -997.401262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.401262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.401262 (E_RNA) where: Base-Base interactions energy: -661.600 where: short stacking energy: -280.123 Base-Backbone interact. energy: 0.371 local terms energy: -336.171544 where: bonds (distance) C4'-P energy: -59.460 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -74.458 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -86.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -878.501916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.501916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.501916 (E_RNA) where: Base-Base interactions energy: -584.149 where: short stacking energy: -249.042 Base-Backbone interact. energy: -4.035 local terms energy: -290.317973 where: bonds (distance) C4'-P energy: -64.504 bonds (distance) P-C4' energy: -56.368 flat angles C4'-P-C4' energy: -72.746 flat angles P-C4'-P energy: -41.401 tors. eta vs tors. theta energy: -55.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -885.335375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.335375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.335375 (E_RNA) where: Base-Base interactions energy: -581.764 where: short stacking energy: -258.204 Base-Backbone interact. energy: -1.461 local terms energy: -302.110798 where: bonds (distance) C4'-P energy: -64.447 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -60.003 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -78.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -729.564615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.564615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.564615 (E_RNA) where: Base-Base interactions energy: -452.317 where: short stacking energy: -221.778 Base-Backbone interact. energy: -1.333 local terms energy: -275.914245 where: bonds (distance) C4'-P energy: -52.363 bonds (distance) P-C4' energy: -67.980 flat angles C4'-P-C4' energy: -63.946 flat angles P-C4'-P energy: -34.050 tors. eta vs tors. theta energy: -57.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -733.377971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.377971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.377971 (E_RNA) where: Base-Base interactions energy: -477.113 where: short stacking energy: -219.319 Base-Backbone interact. energy: 0.370 local terms energy: -256.634751 where: bonds (distance) C4'-P energy: -45.833 bonds (distance) P-C4' energy: -60.172 flat angles C4'-P-C4' energy: -59.103 flat angles P-C4'-P energy: -37.570 tors. eta vs tors. theta energy: -53.956 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: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -708.021045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.021045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.021045 (E_RNA) where: Base-Base interactions energy: -447.829 where: short stacking energy: -187.998 Base-Backbone interact. energy: -0.486 local terms energy: -259.705808 where: bonds (distance) C4'-P energy: -60.942 bonds (distance) P-C4' energy: -65.471 flat angles C4'-P-C4' energy: -56.247 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -35.151 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: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -405.718992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.718992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.718992 (E_RNA) where: Base-Base interactions energy: -219.366 where: short stacking energy: -123.647 Base-Backbone interact. energy: 0.194 local terms energy: -186.546546 where: bonds (distance) C4'-P energy: -53.297 bonds (distance) P-C4' energy: -48.582 flat angles C4'-P-C4' energy: -48.811 flat angles P-C4'-P energy: -29.747 tors. eta vs tors. theta energy: -6.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -277.630244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.630244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.630244 (E_RNA) where: Base-Base interactions energy: -96.413 where: short stacking energy: -71.569 Base-Backbone interact. energy: -0.820 local terms energy: -180.396816 where: bonds (distance) C4'-P energy: -55.646 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -43.520 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: 10.631 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: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -293.969558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.969558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.969558 (E_RNA) where: Base-Base interactions energy: -91.674 where: short stacking energy: -63.434 Base-Backbone interact. energy: -1.123 local terms energy: -201.172668 where: bonds (distance) C4'-P energy: -47.054 bonds (distance) P-C4' energy: -58.998 flat angles C4'-P-C4' energy: -45.403 flat angles P-C4'-P energy: -38.926 tors. eta vs tors. theta energy: -10.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1020.592667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.592667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.592667 (E_RNA) where: Base-Base interactions energy: -686.405 where: short stacking energy: -303.387 Base-Backbone interact. energy: -0.867 local terms energy: -333.320835 where: bonds (distance) C4'-P energy: -64.354 bonds (distance) P-C4' energy: -63.568 flat angles C4'-P-C4' energy: -67.704 flat angles P-C4'-P energy: -52.953 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: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1016.242978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.242978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.242978 (E_RNA) where: Base-Base interactions energy: -690.448 where: short stacking energy: -310.629 Base-Backbone interact. energy: -0.400 local terms energy: -325.395835 where: bonds (distance) C4'-P energy: -61.061 bonds (distance) P-C4' energy: -52.255 flat angles C4'-P-C4' energy: -69.265 flat angles P-C4'-P energy: -51.368 tors. eta vs tors. theta energy: -91.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -847.651545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.651545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.651545 (E_RNA) where: Base-Base interactions energy: -573.365 where: short stacking energy: -229.258 Base-Backbone interact. energy: 1.523 local terms energy: -275.809486 where: bonds (distance) C4'-P energy: -52.620 bonds (distance) P-C4' energy: -66.945 flat angles C4'-P-C4' energy: -68.166 flat angles P-C4'-P energy: -26.642 tors. eta vs tors. theta energy: -61.435 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: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -833.874354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.874354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.874354 (E_RNA) where: Base-Base interactions energy: -553.817 where: short stacking energy: -246.182 Base-Backbone interact. energy: -1.004 local terms energy: -279.052687 where: bonds (distance) C4'-P energy: -56.405 bonds (distance) P-C4' energy: -51.382 flat angles C4'-P-C4' energy: -68.297 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -56.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -725.084732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.084732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.084732 (E_RNA) where: Base-Base interactions energy: -445.640 where: short stacking energy: -213.009 Base-Backbone interact. energy: 3.181 local terms energy: -282.626589 where: bonds (distance) C4'-P energy: -60.736 bonds (distance) P-C4' energy: -61.846 flat angles C4'-P-C4' energy: -64.001 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -53.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -713.685970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.685970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.685970 (E_RNA) where: Base-Base interactions energy: -451.175 where: short stacking energy: -211.042 Base-Backbone interact. energy: -0.246 local terms energy: -262.265361 where: bonds (distance) C4'-P energy: -63.895 bonds (distance) P-C4' energy: -65.528 flat angles C4'-P-C4' energy: -51.438 flat angles P-C4'-P energy: -25.908 tors. eta vs tors. theta energy: -55.497 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: 7, replica: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -700.392678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.392678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.392678 (E_RNA) where: Base-Base interactions energy: -462.432 where: short stacking energy: -203.323 Base-Backbone interact. energy: 1.260 local terms energy: -239.220611 where: bonds (distance) C4'-P energy: -49.632 bonds (distance) P-C4' energy: -52.115 flat angles C4'-P-C4' energy: -51.752 flat angles P-C4'-P energy: -37.237 tors. eta vs tors. theta energy: -48.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -394.140726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.140726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.140726 (E_RNA) where: Base-Base interactions energy: -187.043 where: short stacking energy: -113.542 Base-Backbone interact. energy: 0.758 local terms energy: -207.855327 where: bonds (distance) C4'-P energy: -49.936 bonds (distance) P-C4' energy: -58.946 flat angles C4'-P-C4' energy: -55.937 flat angles P-C4'-P energy: -31.923 tors. eta vs tors. theta energy: -11.114 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: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -286.717151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.717151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.717151 (E_RNA) where: Base-Base interactions energy: -107.545 where: short stacking energy: -90.624 Base-Backbone interact. energy: -1.009 local terms energy: -178.163005 where: bonds (distance) C4'-P energy: -40.123 bonds (distance) P-C4' energy: -58.339 flat angles C4'-P-C4' energy: -44.947 flat angles P-C4'-P energy: -35.009 tors. eta vs tors. theta energy: 0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -250.286799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.286799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.286799 (E_RNA) where: Base-Base interactions energy: -74.730 where: short stacking energy: -59.746 Base-Backbone interact. energy: -0.859 local terms energy: -174.698353 where: bonds (distance) C4'-P energy: -50.795 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -47.174 flat angles P-C4'-P energy: -24.365 tors. eta vs tors. theta energy: 5.999 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: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1030.922866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.922866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.922866 (E_RNA) where: Base-Base interactions energy: -693.049 where: short stacking energy: -302.593 Base-Backbone interact. energy: 1.182 local terms energy: -339.056171 where: bonds (distance) C4'-P energy: -67.080 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -74.091 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -88.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1000.481460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.481460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.481460 (E_RNA) where: Base-Base interactions energy: -669.869 where: short stacking energy: -307.314 Base-Backbone interact. energy: -0.271 local terms energy: -330.341304 where: bonds (distance) C4'-P energy: -65.456 bonds (distance) P-C4' energy: -59.559 flat angles C4'-P-C4' energy: -74.336 flat angles P-C4'-P energy: -44.885 tors. eta vs tors. theta energy: -86.105 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: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -898.104832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.104832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.104832 (E_RNA) where: Base-Base interactions energy: -595.696 where: short stacking energy: -261.661 Base-Backbone interact. energy: -4.446 local terms energy: -297.962789 where: bonds (distance) C4'-P energy: -62.248 bonds (distance) P-C4' energy: -65.836 flat angles C4'-P-C4' energy: -67.390 flat angles P-C4'-P energy: -32.693 tors. eta vs tors. theta energy: -69.795 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: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -763.816948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.816948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.816948 (E_RNA) where: Base-Base interactions energy: -485.220 where: short stacking energy: -230.121 Base-Backbone interact. energy: -1.207 local terms energy: -277.390405 where: bonds (distance) C4'-P energy: -63.000 bonds (distance) P-C4' energy: -53.727 flat angles C4'-P-C4' energy: -60.838 flat angles P-C4'-P energy: -42.921 tors. eta vs tors. theta energy: -56.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -775.844092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.844092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.844092 (E_RNA) where: Base-Base interactions energy: -506.920 where: short stacking energy: -220.384 Base-Backbone interact. energy: -2.219 local terms energy: -266.704658 where: bonds (distance) C4'-P energy: -49.600 bonds (distance) P-C4' energy: -59.540 flat angles C4'-P-C4' energy: -64.318 flat angles P-C4'-P energy: -47.763 tors. eta vs tors. theta energy: -45.484 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: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -778.216716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.216716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.216716 (E_RNA) where: Base-Base interactions energy: -503.465 where: short stacking energy: -213.938 Base-Backbone interact. energy: 0.229 local terms energy: -274.981035 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -58.603 flat angles C4'-P-C4' energy: -55.978 flat angles P-C4'-P energy: -40.748 tors. eta vs tors. theta energy: -53.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -654.878110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.878110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.878110 (E_RNA) where: Base-Base interactions energy: -406.526 where: short stacking energy: -188.197 Base-Backbone interact. energy: -1.231 local terms energy: -247.120349 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -53.069 flat angles C4'-P-C4' energy: -61.298 flat angles P-C4'-P energy: -28.612 tors. eta vs tors. theta energy: -44.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -412.493741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.493741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.493741 (E_RNA) where: Base-Base interactions energy: -210.905 where: short stacking energy: -116.817 Base-Backbone interact. energy: 0.233 local terms energy: -201.822026 where: bonds (distance) C4'-P energy: -51.387 bonds (distance) P-C4' energy: -64.631 flat angles C4'-P-C4' energy: -43.369 flat angles P-C4'-P energy: -31.213 tors. eta vs tors. theta energy: -11.223 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: 9, replica: 8 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -337.708782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.708782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.708782 (E_RNA) where: Base-Base interactions energy: -137.346 where: short stacking energy: -90.406 Base-Backbone interact. energy: -0.262 local terms energy: -200.099974 where: bonds (distance) C4'-P energy: -43.681 bonds (distance) P-C4' energy: -66.797 flat angles C4'-P-C4' energy: -43.999 flat angles P-C4'-P energy: -46.466 tors. eta vs tors. theta energy: 0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -273.216229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.216229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.216229 (E_RNA) where: Base-Base interactions energy: -110.708 where: short stacking energy: -91.292 Base-Backbone interact. energy: 3.347 local terms energy: -165.855372 where: bonds (distance) C4'-P energy: -53.509 bonds (distance) P-C4' energy: -50.609 flat angles C4'-P-C4' energy: -45.208 flat angles P-C4'-P energy: -27.075 tors. eta vs tors. theta energy: 10.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1009.069185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.069185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.069185 (E_RNA) where: Base-Base interactions energy: -677.605 where: short stacking energy: -303.363 Base-Backbone interact. energy: -0.847 local terms energy: -330.616700 where: bonds (distance) C4'-P energy: -64.929 bonds (distance) P-C4' energy: -63.523 flat angles C4'-P-C4' energy: -70.046 flat angles P-C4'-P energy: -47.963 tors. eta vs tors. theta energy: -84.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1000.294777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.294777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.294777 (E_RNA) where: Base-Base interactions energy: -664.263 where: short stacking energy: -283.586 Base-Backbone interact. energy: 0.003 local terms energy: -336.035514 where: bonds (distance) C4'-P energy: -71.778 bonds (distance) P-C4' energy: -69.308 flat angles C4'-P-C4' energy: -61.414 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -86.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -887.635978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.635978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.635978 (E_RNA) where: Base-Base interactions energy: -600.371 where: short stacking energy: -250.310 Base-Backbone interact. energy: 0.272 local terms energy: -287.537144 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -60.221 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -40.746 tors. eta vs tors. theta energy: -72.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -784.201257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.201257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.201257 (E_RNA) where: Base-Base interactions energy: -495.018 where: short stacking energy: -255.019 Base-Backbone interact. energy: -0.435 local terms energy: -288.748104 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -63.236 flat angles C4'-P-C4' energy: -58.355 flat angles P-C4'-P energy: -33.293 tors. eta vs tors. theta energy: -71.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -766.141773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.141773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.141773 (E_RNA) where: Base-Base interactions energy: -510.811 where: short stacking energy: -222.087 Base-Backbone interact. energy: -0.802 local terms energy: -254.528272 where: bonds (distance) C4'-P energy: -61.973 bonds (distance) P-C4' energy: -49.189 flat angles C4'-P-C4' energy: -61.755 flat angles P-C4'-P energy: -40.651 tors. eta vs tors. theta energy: -40.960 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: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -742.140865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.140865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.140865 (E_RNA) where: Base-Base interactions energy: -492.427 where: short stacking energy: -209.365 Base-Backbone interact. energy: 0.590 local terms energy: -250.303567 where: bonds (distance) C4'-P energy: -54.730 bonds (distance) P-C4' energy: -50.928 flat angles C4'-P-C4' energy: -62.402 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: -42.609 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: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -674.846647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.846647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.846647 (E_RNA) where: Base-Base interactions energy: -436.676 where: short stacking energy: -190.395 Base-Backbone interact. energy: 2.396 local terms energy: -240.566417 where: bonds (distance) C4'-P energy: -50.445 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -59.254 flat angles P-C4'-P energy: -31.384 tors. eta vs tors. theta energy: -34.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -424.093553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.093553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.093553 (E_RNA) where: Base-Base interactions energy: -214.268 where: short stacking energy: -126.440 Base-Backbone interact. energy: -0.908 local terms energy: -208.917565 where: bonds (distance) C4'-P energy: -54.594 bonds (distance) P-C4' energy: -51.339 flat angles C4'-P-C4' energy: -51.154 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -10.381 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: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -355.911348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.911348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.911348 (E_RNA) where: Base-Base interactions energy: -153.389 where: short stacking energy: -103.688 Base-Backbone interact. energy: -2.250 local terms energy: -200.272778 where: bonds (distance) C4'-P energy: -65.801 bonds (distance) P-C4' energy: -60.890 flat angles C4'-P-C4' energy: -47.765 flat angles P-C4'-P energy: -29.476 tors. eta vs tors. theta energy: 3.658 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: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -275.472583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.472583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.472583 (E_RNA) where: Base-Base interactions energy: -108.660 where: short stacking energy: -91.295 Base-Backbone interact. energy: 5.116 local terms energy: -171.929250 where: bonds (distance) C4'-P energy: -55.183 bonds (distance) P-C4' energy: -50.428 flat angles C4'-P-C4' energy: -43.126 flat angles P-C4'-P energy: -28.077 tors. eta vs tors. theta energy: 4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1030.326884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.326884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.326884 (E_RNA) where: Base-Base interactions energy: -699.442 where: short stacking energy: -311.050 Base-Backbone interact. energy: -1.310 local terms energy: -329.574745 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -49.254 tors. eta vs tors. theta energy: -88.930 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: 7 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1011.714678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.714678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.714678 (E_RNA) where: Base-Base interactions energy: -687.318 where: short stacking energy: -297.965 Base-Backbone interact. energy: -1.856 local terms energy: -322.540476 where: bonds (distance) C4'-P energy: -66.081 bonds (distance) P-C4' energy: -53.478 flat angles C4'-P-C4' energy: -71.343 flat angles P-C4'-P energy: -43.298 tors. eta vs tors. theta energy: -88.341 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: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -902.973900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.973900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.973900 (E_RNA) where: Base-Base interactions energy: -606.955 where: short stacking energy: -275.566 Base-Backbone interact. energy: -2.080 local terms energy: -293.938182 where: bonds (distance) C4'-P energy: -56.729 bonds (distance) P-C4' energy: -45.664 flat angles C4'-P-C4' energy: -73.248 flat angles P-C4'-P energy: -38.498 tors. eta vs tors. theta energy: -79.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -790.469827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.469827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.469827 (E_RNA) where: Base-Base interactions energy: -495.524 where: short stacking energy: -259.834 Base-Backbone interact. energy: -0.518 local terms energy: -294.428716 where: bonds (distance) C4'-P energy: -55.902 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -66.576 flat angles P-C4'-P energy: -36.785 tors. eta vs tors. theta energy: -67.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -768.069373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.069373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.069373 (E_RNA) where: Base-Base interactions energy: -511.993 where: short stacking energy: -230.930 Base-Backbone interact. energy: 3.462 local terms energy: -259.538713 where: bonds (distance) C4'-P energy: -49.376 bonds (distance) P-C4' energy: -50.555 flat angles C4'-P-C4' energy: -56.848 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: -60.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -728.104643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.104643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.104643 (E_RNA) where: Base-Base interactions energy: -458.551 where: short stacking energy: -198.554 Base-Backbone interact. energy: 1.979 local terms energy: -271.532567 where: bonds (distance) C4'-P energy: -66.820 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -65.338 flat angles P-C4'-P energy: -30.874 tors. eta vs tors. theta energy: -47.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -637.525855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.525855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.525855 (E_RNA) where: Base-Base interactions energy: -386.239 where: short stacking energy: -184.657 Base-Backbone interact. energy: -0.746 local terms energy: -250.541135 where: bonds (distance) C4'-P energy: -53.069 bonds (distance) P-C4' energy: -52.952 flat angles C4'-P-C4' energy: -70.602 flat angles P-C4'-P energy: -35.978 tors. eta vs tors. theta energy: -37.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -446.796823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.796823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.796823 (E_RNA) where: Base-Base interactions energy: -244.042 where: short stacking energy: -145.399 Base-Backbone interact. energy: -0.697 local terms energy: -202.057332 where: bonds (distance) C4'-P energy: -54.847 bonds (distance) P-C4' energy: -46.275 flat angles C4'-P-C4' energy: -55.483 flat angles P-C4'-P energy: -28.313 tors. eta vs tors. theta energy: -17.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -293.673321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.673321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.673321 (E_RNA) where: Base-Base interactions energy: -120.607 where: short stacking energy: -93.267 Base-Backbone interact. energy: 1.470 local terms energy: -174.536875 where: bonds (distance) C4'-P energy: -56.202 bonds (distance) P-C4' energy: -47.395 flat angles C4'-P-C4' energy: -48.776 flat angles P-C4'-P energy: -29.683 tors. eta vs tors. theta energy: 7.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -296.497110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.497110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.497110 (E_RNA) where: Base-Base interactions energy: -127.883 where: short stacking energy: -79.375 Base-Backbone interact. energy: 3.091 local terms energy: -171.705153 where: bonds (distance) C4'-P energy: -56.475 bonds (distance) P-C4' energy: -55.178 flat angles C4'-P-C4' energy: -56.025 flat angles P-C4'-P energy: -13.153 tors. eta vs tors. theta energy: 9.126 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: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1032.096561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.096561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.096561 (E_RNA) where: Base-Base interactions energy: -704.915 where: short stacking energy: -303.006 Base-Backbone interact. energy: -1.307 local terms energy: -325.875417 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -67.830 flat angles C4'-P-C4' energy: -69.729 flat angles P-C4'-P energy: -42.487 tors. eta vs tors. theta energy: -83.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -983.799719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.799719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.799719 (E_RNA) where: Base-Base interactions energy: -664.923 where: short stacking energy: -301.782 Base-Backbone interact. energy: -0.041 local terms energy: -318.836400 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -57.152 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -85.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -930.026596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.026596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.026596 (E_RNA) where: Base-Base interactions energy: -612.551 where: short stacking energy: -290.753 Base-Backbone interact. energy: -1.363 local terms energy: -316.112922 where: bonds (distance) C4'-P energy: -69.040 bonds (distance) P-C4' energy: -59.855 flat angles C4'-P-C4' energy: -62.930 flat angles P-C4'-P energy: -49.678 tors. eta vs tors. theta energy: -74.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -794.502166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.502166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.502166 (E_RNA) where: Base-Base interactions energy: -529.892 where: short stacking energy: -242.474 Base-Backbone interact. energy: 3.104 local terms energy: -267.714981 where: bonds (distance) C4'-P energy: -57.225 bonds (distance) P-C4' energy: -63.232 flat angles C4'-P-C4' energy: -60.028 flat angles P-C4'-P energy: -35.757 tors. eta vs tors. theta energy: -51.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -783.167352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.167352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.167352 (E_RNA) where: Base-Base interactions energy: -509.862 where: short stacking energy: -229.891 Base-Backbone interact. energy: -1.056 local terms energy: -272.249180 where: bonds (distance) C4'-P energy: -54.274 bonds (distance) P-C4' energy: -56.766 flat angles C4'-P-C4' energy: -58.637 flat angles P-C4'-P energy: -39.579 tors. eta vs tors. theta energy: -62.993 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: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -779.153992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.153992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.153992 (E_RNA) where: Base-Base interactions energy: -511.276 where: short stacking energy: -214.561 Base-Backbone interact. energy: -0.979 local terms energy: -266.898995 where: bonds (distance) C4'-P energy: -54.166 bonds (distance) P-C4' energy: -62.002 flat angles C4'-P-C4' energy: -62.662 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -43.642 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: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -586.752549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.752549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.752549 (E_RNA) where: Base-Base interactions energy: -343.214 where: short stacking energy: -187.748 Base-Backbone interact. energy: -0.064 local terms energy: -243.474413 where: bonds (distance) C4'-P energy: -50.131 bonds (distance) P-C4' energy: -50.690 flat angles C4'-P-C4' energy: -66.981 flat angles P-C4'-P energy: -38.101 tors. eta vs tors. theta energy: -37.571 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: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -475.524222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.524222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.524222 (E_RNA) where: Base-Base interactions energy: -292.136 where: short stacking energy: -136.571 Base-Backbone interact. energy: -0.317 local terms energy: -183.071130 where: bonds (distance) C4'-P energy: -52.213 bonds (distance) P-C4' energy: -60.049 flat angles C4'-P-C4' energy: -42.866 flat angles P-C4'-P energy: -16.988 tors. eta vs tors. theta energy: -10.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -299.046744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.046744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.046744 (E_RNA) where: Base-Base interactions energy: -106.959 where: short stacking energy: -84.939 Base-Backbone interact. energy: -1.473 local terms energy: -190.615343 where: bonds (distance) C4'-P energy: -49.721 bonds (distance) P-C4' energy: -56.175 flat angles C4'-P-C4' energy: -51.587 flat angles P-C4'-P energy: -37.789 tors. eta vs tors. theta energy: 4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -283.005741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.005741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.005741 (E_RNA) where: Base-Base interactions energy: -121.858 where: short stacking energy: -73.227 Base-Backbone interact. energy: -0.860 local terms energy: -160.288054 where: bonds (distance) C4'-P energy: -43.418 bonds (distance) P-C4' energy: -41.192 flat angles C4'-P-C4' energy: -48.265 flat angles P-C4'-P energy: -30.366 tors. eta vs tors. theta energy: 2.952 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: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1040.760150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.760150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.760150 (E_RNA) where: Base-Base interactions energy: -694.432 where: short stacking energy: -325.728 Base-Backbone interact. energy: -1.254 local terms energy: -345.074086 where: bonds (distance) C4'-P energy: -62.971 bonds (distance) P-C4' energy: -68.947 flat angles C4'-P-C4' energy: -73.268 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -93.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -992.348823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.348823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.348823 (E_RNA) where: Base-Base interactions energy: -655.162 where: short stacking energy: -300.034 Base-Backbone interact. energy: -2.439 local terms energy: -334.747429 where: bonds (distance) C4'-P energy: -68.061 bonds (distance) P-C4' energy: -60.152 flat angles C4'-P-C4' energy: -68.876 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -88.296 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: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -902.754002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.754002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.754002 (E_RNA) where: Base-Base interactions energy: -593.161 where: short stacking energy: -273.392 Base-Backbone interact. energy: -0.974 local terms energy: -308.618830 where: bonds (distance) C4'-P energy: -54.089 bonds (distance) P-C4' energy: -61.317 flat angles C4'-P-C4' energy: -74.589 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -77.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -816.724493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.724493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.724493 (E_RNA) where: Base-Base interactions energy: -516.406 where: short stacking energy: -242.187 Base-Backbone interact. energy: -0.329 local terms energy: -299.989371 where: bonds (distance) C4'-P energy: -57.779 bonds (distance) P-C4' energy: -62.568 flat angles C4'-P-C4' energy: -68.700 flat angles P-C4'-P energy: -42.898 tors. eta vs tors. theta energy: -68.045 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -750.388269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.388269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.388269 (E_RNA) where: Base-Base interactions energy: -478.538 where: short stacking energy: -222.621 Base-Backbone interact. energy: 0.066 local terms energy: -271.916510 where: bonds (distance) C4'-P energy: -56.381 bonds (distance) P-C4' energy: -63.922 flat angles C4'-P-C4' energy: -60.769 flat angles P-C4'-P energy: -36.243 tors. eta vs tors. theta energy: -54.601 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: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -751.770300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.770300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.770300 (E_RNA) where: Base-Base interactions energy: -499.518 where: short stacking energy: -194.689 Base-Backbone interact. energy: -2.216 local terms energy: -250.036753 where: bonds (distance) C4'-P energy: -52.407 bonds (distance) P-C4' energy: -67.309 flat angles C4'-P-C4' energy: -55.729 flat angles P-C4'-P energy: -30.509 tors. eta vs tors. theta energy: -44.083 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: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -568.465550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.465550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.465550 (E_RNA) where: Base-Base interactions energy: -331.440 where: short stacking energy: -160.794 Base-Backbone interact. energy: -2.260 local terms energy: -234.765821 where: bonds (distance) C4'-P energy: -66.563 bonds (distance) P-C4' energy: -65.069 flat angles C4'-P-C4' energy: -48.183 flat angles P-C4'-P energy: -29.313 tors. eta vs tors. theta energy: -25.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -449.099160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.099160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.099160 (E_RNA) where: Base-Base interactions energy: -259.275 where: short stacking energy: -122.879 Base-Backbone interact. energy: 0.781 local terms energy: -190.605592 where: bonds (distance) C4'-P energy: -54.356 bonds (distance) P-C4' energy: -51.389 flat angles C4'-P-C4' energy: -54.360 flat angles P-C4'-P energy: -22.445 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: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -303.113554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.113554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.113554 (E_RNA) where: Base-Base interactions energy: -97.648 where: short stacking energy: -63.179 Base-Backbone interact. energy: -1.367 local terms energy: -204.098989 where: bonds (distance) C4'-P energy: -52.830 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -39.033 flat angles P-C4'-P energy: -48.338 tors. eta vs tors. theta energy: 8.381 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: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -266.309138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.309138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.309138 (E_RNA) where: Base-Base interactions energy: -72.018 where: short stacking energy: -62.695 Base-Backbone interact. energy: 1.683 local terms energy: -195.973751 where: bonds (distance) C4'-P energy: -63.411 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -50.320 flat angles P-C4'-P energy: -28.808 tors. eta vs tors. theta energy: 6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1059.319574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.319574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.319574 (E_RNA) where: Base-Base interactions energy: -709.438 where: short stacking energy: -311.124 Base-Backbone interact. energy: 0.941 local terms energy: -350.822874 where: bonds (distance) C4'-P energy: -67.040 bonds (distance) P-C4' energy: -66.423 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -50.169 tors. eta vs tors. theta energy: -89.866 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: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -977.772877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.772877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.772877 (E_RNA) where: Base-Base interactions energy: -656.620 where: short stacking energy: -295.348 Base-Backbone interact. energy: -2.325 local terms energy: -318.827946 where: bonds (distance) C4'-P energy: -58.690 bonds (distance) P-C4' energy: -61.315 flat angles C4'-P-C4' energy: -69.834 flat angles P-C4'-P energy: -39.619 tors. eta vs tors. theta energy: -89.370 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: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -909.900471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.900471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.900471 (E_RNA) where: Base-Base interactions energy: -609.797 where: short stacking energy: -278.582 Base-Backbone interact. energy: -3.345 local terms energy: -296.758509 where: bonds (distance) C4'-P energy: -55.992 bonds (distance) P-C4' energy: -55.901 flat angles C4'-P-C4' energy: -64.374 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -76.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -824.143241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.143241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.143241 (E_RNA) where: Base-Base interactions energy: -537.811 where: short stacking energy: -253.643 Base-Backbone interact. energy: -1.103 local terms energy: -285.229008 where: bonds (distance) C4'-P energy: -54.458 bonds (distance) P-C4' energy: -58.712 flat angles C4'-P-C4' energy: -61.297 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: -59.543 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: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -808.747118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.747118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.747118 (E_RNA) where: Base-Base interactions energy: -525.279 where: short stacking energy: -255.233 Base-Backbone interact. energy: -0.445 local terms energy: -283.022740 where: bonds (distance) C4'-P energy: -47.953 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -59.780 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -74.559 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: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -767.900790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.900790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.900790 (E_RNA) where: Base-Base interactions energy: -527.141 where: short stacking energy: -216.548 Base-Backbone interact. energy: 2.413 local terms energy: -243.172582 where: bonds (distance) C4'-P energy: -49.524 bonds (distance) P-C4' energy: -51.290 flat angles C4'-P-C4' energy: -60.287 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -45.620 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: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -580.842136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.842136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.842136 (E_RNA) where: Base-Base interactions energy: -330.469 where: short stacking energy: -160.614 Base-Backbone interact. energy: 0.637 local terms energy: -251.009692 where: bonds (distance) C4'-P energy: -67.807 bonds (distance) P-C4' energy: -57.553 flat angles C4'-P-C4' energy: -55.211 flat angles P-C4'-P energy: -36.481 tors. eta vs tors. theta energy: -33.956 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: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -412.271876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.271876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.271876 (E_RNA) where: Base-Base interactions energy: -208.774 where: short stacking energy: -114.722 Base-Backbone interact. energy: -0.613 local terms energy: -202.884696 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -54.577 flat angles C4'-P-C4' energy: -55.416 flat angles P-C4'-P energy: -31.573 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -289.280175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.280175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.280175 (E_RNA) where: Base-Base interactions energy: -102.455 where: short stacking energy: -74.660 Base-Backbone interact. energy: -1.667 local terms energy: -185.157317 where: bonds (distance) C4'-P energy: -43.281 bonds (distance) P-C4' energy: -66.361 flat angles C4'-P-C4' energy: -48.143 flat angles P-C4'-P energy: -33.045 tors. eta vs tors. theta energy: 5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -265.094703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.094703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.094703 (E_RNA) where: Base-Base interactions energy: -94.300 where: short stacking energy: -72.502 Base-Backbone interact. energy: -0.755 local terms energy: -170.039433 where: bonds (distance) C4'-P energy: -47.581 bonds (distance) P-C4' energy: -63.153 flat angles C4'-P-C4' energy: -42.756 flat angles P-C4'-P energy: -31.304 tors. eta vs tors. theta energy: 14.754 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: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1064.520887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.520887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.520887 (E_RNA) where: Base-Base interactions energy: -718.100 where: short stacking energy: -326.345 Base-Backbone interact. energy: 1.361 local terms energy: -347.782103 where: bonds (distance) C4'-P energy: -60.948 bonds (distance) P-C4' energy: -65.714 flat angles C4'-P-C4' energy: -77.430 flat angles P-C4'-P energy: -52.958 tors. eta vs tors. theta energy: -90.733 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: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1002.010551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.010551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.010551 (E_RNA) where: Base-Base interactions energy: -668.948 where: short stacking energy: -301.778 Base-Backbone interact. energy: -1.941 local terms energy: -331.121780 where: bonds (distance) C4'-P energy: -60.016 bonds (distance) P-C4' energy: -69.741 flat angles C4'-P-C4' energy: -67.919 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -93.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -923.797815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.797815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.797815 (E_RNA) where: Base-Base interactions energy: -624.559 where: short stacking energy: -273.085 Base-Backbone interact. energy: -1.544 local terms energy: -297.694845 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -66.644 flat angles C4'-P-C4' energy: -61.168 flat angles P-C4'-P energy: -45.496 tors. eta vs tors. theta energy: -72.369 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: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -841.820717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.820717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.820717 (E_RNA) where: Base-Base interactions energy: -537.975 where: short stacking energy: -234.515 Base-Backbone interact. energy: -3.391 local terms energy: -300.455122 where: bonds (distance) C4'-P energy: -52.538 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -52.529 tors. eta vs tors. theta energy: -57.720 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: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -806.618475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.618475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.618475 (E_RNA) where: Base-Base interactions energy: -527.402 where: short stacking energy: -254.048 Base-Backbone interact. energy: 1.465 local terms energy: -280.681494 where: bonds (distance) C4'-P energy: -49.346 bonds (distance) P-C4' energy: -66.877 flat angles C4'-P-C4' energy: -67.641 flat angles P-C4'-P energy: -31.073 tors. eta vs tors. theta energy: -65.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -747.304127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.304127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.304127 (E_RNA) where: Base-Base interactions energy: -462.146 where: short stacking energy: -193.509 Base-Backbone interact. energy: -3.745 local terms energy: -281.413588 where: bonds (distance) C4'-P energy: -53.085 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -67.540 flat angles P-C4'-P energy: -46.101 tors. eta vs tors. theta energy: -50.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -538.187075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.187075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.187075 (E_RNA) where: Base-Base interactions energy: -299.857 where: short stacking energy: -171.102 Base-Backbone interact. energy: -1.553 local terms energy: -236.776796 where: bonds (distance) C4'-P energy: -54.417 bonds (distance) P-C4' energy: -67.447 flat angles C4'-P-C4' energy: -46.661 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -26.803 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: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -416.245329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.245329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.245329 (E_RNA) where: Base-Base interactions energy: -218.268 where: short stacking energy: -111.154 Base-Backbone interact. energy: 0.160 local terms energy: -198.136615 where: bonds (distance) C4'-P energy: -49.737 bonds (distance) P-C4' energy: -51.774 flat angles C4'-P-C4' energy: -53.402 flat angles P-C4'-P energy: -36.013 tors. eta vs tors. theta energy: -7.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -314.497491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.497491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.497491 (E_RNA) where: Base-Base interactions energy: -128.693 where: short stacking energy: -90.914 Base-Backbone interact. energy: 0.388 local terms energy: -186.192290 where: bonds (distance) C4'-P energy: -53.095 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -42.973 flat angles P-C4'-P energy: -30.517 tors. eta vs tors. theta energy: 1.658 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: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -258.035597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.035597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.035597 (E_RNA) where: Base-Base interactions energy: -78.692 where: short stacking energy: -68.833 Base-Backbone interact. energy: -0.281 local terms energy: -179.061849 where: bonds (distance) C4'-P energy: -57.870 bonds (distance) P-C4' energy: -58.544 flat angles C4'-P-C4' energy: -49.294 flat angles P-C4'-P energy: -22.859 tors. eta vs tors. theta energy: 9.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1055.836539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.836539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.836539 (E_RNA) where: Base-Base interactions energy: -706.708 where: short stacking energy: -313.778 Base-Backbone interact. energy: -1.437 local terms energy: -347.691555 where: bonds (distance) C4'-P energy: -60.751 bonds (distance) P-C4' energy: -76.249 flat angles C4'-P-C4' energy: -75.823 flat angles P-C4'-P energy: -48.833 tors. eta vs tors. theta energy: -86.036 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: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -998.370600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.370600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.370600 (E_RNA) where: Base-Base interactions energy: -662.943 where: short stacking energy: -300.006 Base-Backbone interact. energy: -2.628 local terms energy: -332.799448 where: bonds (distance) C4'-P energy: -61.017 bonds (distance) P-C4' energy: -57.301 flat angles C4'-P-C4' energy: -74.450 flat angles P-C4'-P energy: -53.642 tors. eta vs tors. theta energy: -86.389 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: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -908.040125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.040125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.040125 (E_RNA) where: Base-Base interactions energy: -613.090 where: short stacking energy: -269.492 Base-Backbone interact. energy: -3.291 local terms energy: -291.659092 where: bonds (distance) C4'-P energy: -60.814 bonds (distance) P-C4' energy: -61.508 flat angles C4'-P-C4' energy: -63.350 flat angles P-C4'-P energy: -35.960 tors. eta vs tors. theta energy: -70.027 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: 4 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -817.624789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.624789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.624789 (E_RNA) where: Base-Base interactions energy: -534.078 where: short stacking energy: -238.505 Base-Backbone interact. energy: -0.777 local terms energy: -282.769312 where: bonds (distance) C4'-P energy: -54.686 bonds (distance) P-C4' energy: -60.981 flat angles C4'-P-C4' energy: -62.602 flat angles P-C4'-P energy: -41.317 tors. eta vs tors. theta energy: -63.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -755.463002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.463002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.463002 (E_RNA) where: Base-Base interactions energy: -477.880 where: short stacking energy: -243.973 Base-Backbone interact. energy: -1.563 local terms energy: -276.020268 where: bonds (distance) C4'-P energy: -47.224 bonds (distance) P-C4' energy: -63.358 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -30.892 tors. eta vs tors. theta energy: -67.191 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: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -748.940394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.940394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.940394 (E_RNA) where: Base-Base interactions energy: -485.626 where: short stacking energy: -215.009 Base-Backbone interact. energy: -1.549 local terms energy: -261.764586 where: bonds (distance) C4'-P energy: -48.435 bonds (distance) P-C4' energy: -56.743 flat angles C4'-P-C4' energy: -68.461 flat angles P-C4'-P energy: -36.076 tors. eta vs tors. theta energy: -52.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -568.308898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.308898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.308898 (E_RNA) where: Base-Base interactions energy: -356.727 where: short stacking energy: -176.067 Base-Backbone interact. energy: -1.939 local terms energy: -209.643407 where: bonds (distance) C4'-P energy: -59.677 bonds (distance) P-C4' energy: -53.868 flat angles C4'-P-C4' energy: -43.381 flat angles P-C4'-P energy: -16.292 tors. eta vs tors. theta energy: -36.425 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: 66 Temperature: 1.250000 Total energy: -376.791382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.791382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.791382 (E_RNA) where: Base-Base interactions energy: -176.886 where: short stacking energy: -126.417 Base-Backbone interact. energy: -0.459 local terms energy: -199.446683 where: bonds (distance) C4'-P energy: -60.541 bonds (distance) P-C4' energy: -44.149 flat angles C4'-P-C4' energy: -55.061 flat angles P-C4'-P energy: -36.683 tors. eta vs tors. theta energy: -3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -317.228499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.228499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.228499 (E_RNA) where: Base-Base interactions energy: -126.120 where: short stacking energy: -117.945 Base-Backbone interact. energy: -0.785 local terms energy: -190.323846 where: bonds (distance) C4'-P energy: -53.406 bonds (distance) P-C4' energy: -50.935 flat angles C4'-P-C4' energy: -42.999 flat angles P-C4'-P energy: -23.181 tors. eta vs tors. theta energy: -19.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -274.893299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.893299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.893299 (E_RNA) where: Base-Base interactions energy: -100.470 where: short stacking energy: -67.863 Base-Backbone interact. energy: -0.950 local terms energy: -173.472442 where: bonds (distance) C4'-P energy: -48.677 bonds (distance) P-C4' energy: -56.419 flat angles C4'-P-C4' energy: -50.526 flat angles P-C4'-P energy: -28.031 tors. eta vs tors. theta energy: 10.180 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: 67 Temperature: 0.900000 Total energy: -1051.384776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.384776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.384776 (E_RNA) where: Base-Base interactions energy: -727.727 where: short stacking energy: -317.231 Base-Backbone interact. energy: -0.889 local terms energy: -322.768637 where: bonds (distance) C4'-P energy: -56.691 bonds (distance) P-C4' energy: -66.751 flat angles C4'-P-C4' energy: -70.662 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: -83.744 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: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -980.885487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.885487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.885487 (E_RNA) where: Base-Base interactions energy: -651.346 where: short stacking energy: -304.206 Base-Backbone interact. energy: 0.069 local terms energy: -329.608383 where: bonds (distance) C4'-P energy: -62.318 bonds (distance) P-C4' energy: -63.029 flat angles C4'-P-C4' energy: -68.013 flat angles P-C4'-P energy: -47.681 tors. eta vs tors. theta energy: -88.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -919.801864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.801864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.801864 (E_RNA) where: Base-Base interactions energy: -626.347 where: short stacking energy: -258.565 Base-Backbone interact. energy: -0.153 local terms energy: -293.301817 where: bonds (distance) C4'-P energy: -48.650 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -66.489 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: -73.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -816.964875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.964875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.964875 (E_RNA) where: Base-Base interactions energy: -521.900 where: short stacking energy: -242.530 Base-Backbone interact. energy: -2.244 local terms energy: -292.821084 where: bonds (distance) C4'-P energy: -55.038 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -64.790 flat angles P-C4'-P energy: -38.545 tors. eta vs tors. theta energy: -69.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -768.200893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.200893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.200893 (E_RNA) where: Base-Base interactions energy: -481.184 where: short stacking energy: -243.234 Base-Backbone interact. energy: -3.207 local terms energy: -283.810516 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -59.117 flat angles C4'-P-C4' energy: -59.655 flat angles P-C4'-P energy: -39.736 tors. eta vs tors. theta energy: -62.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -719.816086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.816086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.816086 (E_RNA) where: Base-Base interactions energy: -462.752 where: short stacking energy: -196.254 Base-Backbone interact. energy: -2.565 local terms energy: -254.499726 where: bonds (distance) C4'-P energy: -53.270 bonds (distance) P-C4' energy: -63.561 flat angles C4'-P-C4' energy: -63.973 flat angles P-C4'-P energy: -34.209 tors. eta vs tors. theta energy: -39.486 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: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -604.289534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.289534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.289534 (E_RNA) where: Base-Base interactions energy: -361.630 where: short stacking energy: -167.302 Base-Backbone interact. energy: 0.301 local terms energy: -242.960514 where: bonds (distance) C4'-P energy: -50.151 bonds (distance) P-C4' energy: -64.650 flat angles C4'-P-C4' energy: -58.213 flat angles P-C4'-P energy: -33.909 tors. eta vs tors. theta energy: -36.038 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: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -362.048471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.048471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.048471 (E_RNA) where: Base-Base interactions energy: -161.374 where: short stacking energy: -135.335 Base-Backbone interact. energy: -2.535 local terms energy: -198.140238 where: bonds (distance) C4'-P energy: -41.053 bonds (distance) P-C4' energy: -60.261 flat angles C4'-P-C4' energy: -54.446 flat angles P-C4'-P energy: -34.864 tors. eta vs tors. theta energy: -7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -367.450370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.450370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.450370 (E_RNA) where: Base-Base interactions energy: -181.179 where: short stacking energy: -110.390 Base-Backbone interact. energy: -1.788 local terms energy: -184.483339 where: bonds (distance) C4'-P energy: -52.937 bonds (distance) P-C4' energy: -58.138 flat angles C4'-P-C4' energy: -43.066 flat angles P-C4'-P energy: -21.164 tors. eta vs tors. theta energy: -9.179 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: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -278.242526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.242526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.242526 (E_RNA) where: Base-Base interactions energy: -101.989 where: short stacking energy: -89.638 Base-Backbone interact. energy: -1.179 local terms energy: -175.074163 where: bonds (distance) C4'-P energy: -41.637 bonds (distance) P-C4' energy: -54.066 flat angles C4'-P-C4' energy: -44.861 flat angles P-C4'-P energy: -36.292 tors. eta vs tors. theta energy: 1.782 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: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1031.211742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.211742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.211742 (E_RNA) where: Base-Base interactions energy: -702.783 where: short stacking energy: -322.367 Base-Backbone interact. energy: -1.259 local terms energy: -327.169625 where: bonds (distance) C4'-P energy: -64.816 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -54.917 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -99.168 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: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -967.062029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.062029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.062029 (E_RNA) where: Base-Base interactions energy: -638.247 where: short stacking energy: -306.144 Base-Backbone interact. energy: -1.505 local terms energy: -327.310691 where: bonds (distance) C4'-P energy: -57.377 bonds (distance) P-C4' energy: -68.291 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -89.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -971.301044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.301044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.301044 (E_RNA) where: Base-Base interactions energy: -651.319 where: short stacking energy: -289.382 Base-Backbone interact. energy: -2.510 local terms energy: -317.472769 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -63.641 flat angles C4'-P-C4' energy: -74.472 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: -79.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -810.442869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.442869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.442869 (E_RNA) where: Base-Base interactions energy: -522.099 where: short stacking energy: -218.119 Base-Backbone interact. energy: -1.502 local terms energy: -286.841624 where: bonds (distance) C4'-P energy: -51.895 bonds (distance) P-C4' energy: -67.961 flat angles C4'-P-C4' energy: -66.128 flat angles P-C4'-P energy: -45.339 tors. eta vs tors. theta energy: -55.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -770.174282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.174282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.174282 (E_RNA) where: Base-Base interactions energy: -502.201 where: short stacking energy: -232.850 Base-Backbone interact. energy: -0.488 local terms energy: -267.485032 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -62.156 flat angles C4'-P-C4' energy: -54.477 flat angles P-C4'-P energy: -34.916 tors. eta vs tors. theta energy: -58.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -718.863189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.863189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.863189 (E_RNA) where: Base-Base interactions energy: -472.823 where: short stacking energy: -215.911 Base-Backbone interact. energy: 0.344 local terms energy: -246.383755 where: bonds (distance) C4'-P energy: -52.447 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -53.450 flat angles P-C4'-P energy: -36.332 tors. eta vs tors. theta energy: -44.308 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: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -613.817870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.817870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.817870 (E_RNA) where: Base-Base interactions energy: -375.983 where: short stacking energy: -193.755 Base-Backbone interact. energy: -1.097 local terms energy: -236.738066 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -56.943 flat angles C4'-P-C4' energy: -55.321 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -33.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -359.169898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.169898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.169898 (E_RNA) where: Base-Base interactions energy: -168.799 where: short stacking energy: -136.965 Base-Backbone interact. energy: 0.045 local terms energy: -190.415736 where: bonds (distance) C4'-P energy: -52.428 bonds (distance) P-C4' energy: -45.481 flat angles C4'-P-C4' energy: -54.118 flat angles P-C4'-P energy: -27.882 tors. eta vs tors. theta energy: -10.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -299.363525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.363525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.363525 (E_RNA) where: Base-Base interactions energy: -115.650 where: short stacking energy: -81.709 Base-Backbone interact. energy: -0.675 local terms energy: -183.038131 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -46.790 flat angles P-C4'-P energy: -14.926 tors. eta vs tors. theta energy: 0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -343.951493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.951493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.951493 (E_RNA) where: Base-Base interactions energy: -153.598 where: short stacking energy: -92.362 Base-Backbone interact. energy: 1.493 local terms energy: -191.846525 where: bonds (distance) C4'-P energy: -60.360 bonds (distance) P-C4' energy: -39.756 flat angles C4'-P-C4' energy: -46.382 flat angles P-C4'-P energy: -35.595 tors. eta vs tors. theta energy: -9.754 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: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1030.106369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.106369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.106369 (E_RNA) where: Base-Base interactions energy: -693.799 where: short stacking energy: -319.862 Base-Backbone interact. energy: -0.543 local terms energy: -335.764061 where: bonds (distance) C4'-P energy: -72.837 bonds (distance) P-C4' energy: -66.303 flat angles C4'-P-C4' energy: -59.587 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -87.210 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: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -971.147062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.147062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.147062 (E_RNA) where: Base-Base interactions energy: -664.024 where: short stacking energy: -284.867 Base-Backbone interact. energy: -1.320 local terms energy: -305.803844 where: bonds (distance) C4'-P energy: -60.807 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -69.926 flat angles P-C4'-P energy: -37.374 tors. eta vs tors. theta energy: -78.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -966.063033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.063033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.063033 (E_RNA) where: Base-Base interactions energy: -651.483 where: short stacking energy: -303.099 Base-Backbone interact. energy: -0.739 local terms energy: -313.840647 where: bonds (distance) C4'-P energy: -56.474 bonds (distance) P-C4' energy: -58.173 flat angles C4'-P-C4' energy: -71.368 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -85.471 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: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -826.618276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.618276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.618276 (E_RNA) where: Base-Base interactions energy: -532.574 where: short stacking energy: -251.609 Base-Backbone interact. energy: -1.395 local terms energy: -292.649055 where: bonds (distance) C4'-P energy: -59.246 bonds (distance) P-C4' energy: -67.930 flat angles C4'-P-C4' energy: -65.234 flat angles P-C4'-P energy: -34.043 tors. eta vs tors. theta energy: -66.195 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: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -752.718812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.718812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.718812 (E_RNA) where: Base-Base interactions energy: -482.843 where: short stacking energy: -214.270 Base-Backbone interact. energy: -1.097 local terms energy: -268.778076 where: bonds (distance) C4'-P energy: -66.563 bonds (distance) P-C4' energy: -54.486 flat angles C4'-P-C4' energy: -66.221 flat angles P-C4'-P energy: -30.440 tors. eta vs tors. theta energy: -51.068 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: 69 Temperature: 1.150000 Total energy: -743.340736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.340736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.340736 (E_RNA) where: Base-Base interactions energy: -485.226 where: short stacking energy: -223.543 Base-Backbone interact. energy: -1.727 local terms energy: -256.387544 where: bonds (distance) C4'-P energy: -44.576 bonds (distance) P-C4' energy: -57.775 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -38.789 tors. eta vs tors. theta energy: -48.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -630.447147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.447147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.447147 (E_RNA) where: Base-Base interactions energy: -380.123 where: short stacking energy: -185.793 Base-Backbone interact. energy: 4.710 local terms energy: -255.033716 where: bonds (distance) C4'-P energy: -57.228 bonds (distance) P-C4' energy: -63.043 flat angles C4'-P-C4' energy: -46.577 flat angles P-C4'-P energy: -40.576 tors. eta vs tors. theta energy: -47.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -342.758392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.758392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.758392 (E_RNA) where: Base-Base interactions energy: -142.843 where: short stacking energy: -94.129 Base-Backbone interact. energy: -0.927 local terms energy: -198.988577 where: bonds (distance) C4'-P energy: -52.785 bonds (distance) P-C4' energy: -61.126 flat angles C4'-P-C4' energy: -48.691 flat angles P-C4'-P energy: -33.146 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -304.366238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.366238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.366238 (E_RNA) where: Base-Base interactions energy: -133.445 where: short stacking energy: -87.592 Base-Backbone interact. energy: 0.554 local terms energy: -171.475401 where: bonds (distance) C4'-P energy: -50.233 bonds (distance) P-C4' energy: -48.548 flat angles C4'-P-C4' energy: -55.262 flat angles P-C4'-P energy: -27.558 tors. eta vs tors. theta energy: 10.125 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: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -321.757518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.757518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.757518 (E_RNA) where: Base-Base interactions energy: -154.915 where: short stacking energy: -102.073 Base-Backbone interact. energy: -0.696 local terms energy: -166.146965 where: bonds (distance) C4'-P energy: -51.103 bonds (distance) P-C4' energy: -46.793 flat angles C4'-P-C4' energy: -49.211 flat angles P-C4'-P energy: -21.058 tors. eta vs tors. theta energy: 2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1040.039242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.039242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.039242 (E_RNA) where: Base-Base interactions energy: -694.216 where: short stacking energy: -322.837 Base-Backbone interact. energy: -1.454 local terms energy: -344.368759 where: bonds (distance) C4'-P energy: -70.381 bonds (distance) P-C4' energy: -62.928 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -52.550 tors. eta vs tors. theta energy: -88.023 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: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -966.809854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.809854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.809854 (E_RNA) where: Base-Base interactions energy: -664.225 where: short stacking energy: -275.573 Base-Backbone interact. energy: -2.735 local terms energy: -299.850236 where: bonds (distance) C4'-P energy: -62.250 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -60.843 flat angles P-C4'-P energy: -31.980 tors. eta vs tors. theta energy: -80.589 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: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -961.393428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.393428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.393428 (E_RNA) where: Base-Base interactions energy: -650.443 where: short stacking energy: -297.056 Base-Backbone interact. energy: -0.947 local terms energy: -310.003296 where: bonds (distance) C4'-P energy: -52.851 bonds (distance) P-C4' energy: -67.949 flat angles C4'-P-C4' energy: -65.519 flat angles P-C4'-P energy: -37.334 tors. eta vs tors. theta energy: -86.349 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: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -819.195345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.195345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.195345 (E_RNA) where: Base-Base interactions energy: -534.982 where: short stacking energy: -247.768 Base-Backbone interact. energy: 2.447 local terms energy: -286.660445 where: bonds (distance) C4'-P energy: -57.292 bonds (distance) P-C4' energy: -60.766 flat angles C4'-P-C4' energy: -64.306 flat angles P-C4'-P energy: -45.186 tors. eta vs tors. theta energy: -59.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -773.334478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.334478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.334478 (E_RNA) where: Base-Base interactions energy: -500.840 where: short stacking energy: -223.442 Base-Backbone interact. energy: -1.652 local terms energy: -270.842742 where: bonds (distance) C4'-P energy: -63.483 bonds (distance) P-C4' energy: -63.628 flat angles C4'-P-C4' energy: -61.059 flat angles P-C4'-P energy: -26.461 tors. eta vs tors. theta energy: -56.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -722.420375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.420375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.420375 (E_RNA) where: Base-Base interactions energy: -485.793 where: short stacking energy: -216.343 Base-Backbone interact. energy: -1.371 local terms energy: -235.255729 where: bonds (distance) C4'-P energy: -54.860 bonds (distance) P-C4' energy: -45.130 flat angles C4'-P-C4' energy: -60.093 flat angles P-C4'-P energy: -22.232 tors. eta vs tors. theta energy: -52.940 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: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -634.095917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.095917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.095917 (E_RNA) where: Base-Base interactions energy: -399.750 where: short stacking energy: -194.996 Base-Backbone interact. energy: 2.871 local terms energy: -237.216783 where: bonds (distance) C4'-P energy: -51.021 bonds (distance) P-C4' energy: -58.601 flat angles C4'-P-C4' energy: -51.221 flat angles P-C4'-P energy: -35.413 tors. eta vs tors. theta energy: -40.961 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: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -351.168472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.168472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.168472 (E_RNA) where: Base-Base interactions energy: -148.066 where: short stacking energy: -101.115 Base-Backbone interact. energy: -1.021 local terms energy: -202.081778 where: bonds (distance) C4'-P energy: -52.378 bonds (distance) P-C4' energy: -59.524 flat angles C4'-P-C4' energy: -53.620 flat angles P-C4'-P energy: -29.192 tors. eta vs tors. theta energy: -7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -343.757938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.757938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.757938 (E_RNA) where: Base-Base interactions energy: -162.998 where: short stacking energy: -106.066 Base-Backbone interact. energy: -1.672 local terms energy: -179.087733 where: bonds (distance) C4'-P energy: -52.373 bonds (distance) P-C4' energy: -50.525 flat angles C4'-P-C4' energy: -52.151 flat angles P-C4'-P energy: -27.643 tors. eta vs tors. theta energy: 3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -275.652362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.652362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.652362 (E_RNA) where: Base-Base interactions energy: -88.012 where: short stacking energy: -77.022 Base-Backbone interact. energy: -1.531 local terms energy: -186.109230 where: bonds (distance) C4'-P energy: -47.309 bonds (distance) P-C4' energy: -61.843 flat angles C4'-P-C4' energy: -43.465 flat angles P-C4'-P energy: -29.743 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1048.831291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.831291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.831291 (E_RNA) where: Base-Base interactions energy: -703.888 where: short stacking energy: -310.252 Base-Backbone interact. energy: -0.273 local terms energy: -344.669885 where: bonds (distance) C4'-P energy: -65.596 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -68.327 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: -96.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -982.177671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.177671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.177671 (E_RNA) where: Base-Base interactions energy: -663.721 where: short stacking energy: -302.037 Base-Backbone interact. energy: -1.619 local terms energy: -316.837575 where: bonds (distance) C4'-P energy: -57.026 bonds (distance) P-C4' energy: -59.963 flat angles C4'-P-C4' energy: -63.436 flat angles P-C4'-P energy: -43.937 tors. eta vs tors. theta energy: -92.476 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: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -938.266796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.266796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.266796 (E_RNA) where: Base-Base interactions energy: -611.583 where: short stacking energy: -286.620 Base-Backbone interact. energy: -1.572 local terms energy: -325.112097 where: bonds (distance) C4'-P energy: -63.209 bonds (distance) P-C4' energy: -60.565 flat angles C4'-P-C4' energy: -73.789 flat angles P-C4'-P energy: -42.237 tors. eta vs tors. theta energy: -85.311 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: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -790.041856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.041856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.041856 (E_RNA) where: Base-Base interactions energy: -502.961 where: short stacking energy: -250.198 Base-Backbone interact. energy: 1.879 local terms energy: -288.959112 where: bonds (distance) C4'-P energy: -53.642 bonds (distance) P-C4' energy: -57.711 flat angles C4'-P-C4' energy: -64.654 flat angles P-C4'-P energy: -49.222 tors. eta vs tors. theta energy: -63.730 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: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -804.057031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.057031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.057031 (E_RNA) where: Base-Base interactions energy: -530.241 where: short stacking energy: -225.629 Base-Backbone interact. energy: -1.025 local terms energy: -272.790262 where: bonds (distance) C4'-P energy: -60.441 bonds (distance) P-C4' energy: -50.441 flat angles C4'-P-C4' energy: -65.479 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -52.398 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: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -696.979867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.979867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.979867 (E_RNA) where: Base-Base interactions energy: -441.918 where: short stacking energy: -194.977 Base-Backbone interact. energy: -0.394 local terms energy: -254.668357 where: bonds (distance) C4'-P energy: -58.173 bonds (distance) P-C4' energy: -54.931 flat angles C4'-P-C4' energy: -60.328 flat angles P-C4'-P energy: -36.715 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: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -593.703139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.703139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.703139 (E_RNA) where: Base-Base interactions energy: -363.963 where: short stacking energy: -182.248 Base-Backbone interact. energy: 3.820 local terms energy: -233.560354 where: bonds (distance) C4'-P energy: -46.429 bonds (distance) P-C4' energy: -53.344 flat angles C4'-P-C4' energy: -62.360 flat angles P-C4'-P energy: -39.086 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: 8, replica: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -376.545137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.545137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.545137 (E_RNA) where: Base-Base interactions energy: -163.777 where: short stacking energy: -95.001 Base-Backbone interact. energy: 0.836 local terms energy: -213.604687 where: bonds (distance) C4'-P energy: -59.290 bonds (distance) P-C4' energy: -68.549 flat angles C4'-P-C4' energy: -59.215 flat angles P-C4'-P energy: -29.215 tors. eta vs tors. theta energy: 2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -318.464534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.464534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.464534 (E_RNA) where: Base-Base interactions energy: -147.360 where: short stacking energy: -103.785 Base-Backbone interact. energy: -0.270 local terms energy: -170.834916 where: bonds (distance) C4'-P energy: -54.348 bonds (distance) P-C4' energy: -50.109 flat angles C4'-P-C4' energy: -50.274 flat angles P-C4'-P energy: -26.348 tors. eta vs tors. theta energy: 10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -246.279055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.279055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.279055 (E_RNA) where: Base-Base interactions energy: -78.380 where: short stacking energy: -72.224 Base-Backbone interact. energy: -1.606 local terms energy: -166.292585 where: bonds (distance) C4'-P energy: -55.197 bonds (distance) P-C4' energy: -55.661 flat angles C4'-P-C4' energy: -52.729 flat angles P-C4'-P energy: -16.507 tors. eta vs tors. theta energy: 13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1030.195046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.195046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.195046 (E_RNA) where: Base-Base interactions energy: -703.567 where: short stacking energy: -291.627 Base-Backbone interact. energy: -1.669 local terms energy: -324.959262 where: bonds (distance) C4'-P energy: -65.008 bonds (distance) P-C4' energy: -63.801 flat angles C4'-P-C4' energy: -74.096 flat angles P-C4'-P energy: -42.739 tors. eta vs tors. theta energy: -79.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -983.763360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.763360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.763360 (E_RNA) where: Base-Base interactions energy: -645.783 where: short stacking energy: -333.976 Base-Backbone interact. energy: -1.292 local terms energy: -336.688344 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -62.897 flat angles C4'-P-C4' energy: -64.594 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -96.087 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: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -925.536666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.536666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.536666 (E_RNA) where: Base-Base interactions energy: -620.277 where: short stacking energy: -268.006 Base-Backbone interact. energy: -1.275 local terms energy: -303.984967 where: bonds (distance) C4'-P energy: -61.111 bonds (distance) P-C4' energy: -63.141 flat angles C4'-P-C4' energy: -64.621 flat angles P-C4'-P energy: -35.153 tors. eta vs tors. theta energy: -79.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -779.197209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.197209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.197209 (E_RNA) where: Base-Base interactions energy: -511.568 where: short stacking energy: -222.823 Base-Backbone interact. energy: -0.095 local terms energy: -267.534718 where: bonds (distance) C4'-P energy: -46.728 bonds (distance) P-C4' energy: -68.953 flat angles C4'-P-C4' energy: -56.753 flat angles P-C4'-P energy: -35.605 tors. eta vs tors. theta energy: -59.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -782.119879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.119879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.119879 (E_RNA) where: Base-Base interactions energy: -490.162 where: short stacking energy: -222.505 Base-Backbone interact. energy: 1.914 local terms energy: -293.872028 where: bonds (distance) C4'-P energy: -67.621 bonds (distance) P-C4' energy: -59.026 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -45.577 tors. eta vs tors. theta energy: -61.864 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: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -697.170667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.170667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.170667 (E_RNA) where: Base-Base interactions energy: -447.509 where: short stacking energy: -191.575 Base-Backbone interact. energy: 0.034 local terms energy: -249.695354 where: bonds (distance) C4'-P energy: -60.171 bonds (distance) P-C4' energy: -48.868 flat angles C4'-P-C4' energy: -56.497 flat angles P-C4'-P energy: -41.889 tors. eta vs tors. theta energy: -42.271 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: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -593.230661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.230661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.230661 (E_RNA) where: Base-Base interactions energy: -341.079 where: short stacking energy: -173.992 Base-Backbone interact. energy: -1.228 local terms energy: -250.923181 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -65.218 flat angles C4'-P-C4' energy: -56.904 flat angles P-C4'-P energy: -34.956 tors. eta vs tors. theta energy: -33.514 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: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -394.234521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.234521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.234521 (E_RNA) where: Base-Base interactions energy: -190.179 where: short stacking energy: -125.559 Base-Backbone interact. energy: -0.829 local terms energy: -203.225833 where: bonds (distance) C4'-P energy: -50.549 bonds (distance) P-C4' energy: -61.253 flat angles C4'-P-C4' energy: -49.198 flat angles P-C4'-P energy: -31.470 tors. eta vs tors. theta energy: -10.756 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: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -291.135643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.135643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.135643 (E_RNA) where: Base-Base interactions energy: -130.518 where: short stacking energy: -106.318 Base-Backbone interact. energy: -2.065 local terms energy: -158.552539 where: bonds (distance) C4'-P energy: -44.890 bonds (distance) P-C4' energy: -53.845 flat angles C4'-P-C4' energy: -28.016 flat angles P-C4'-P energy: -22.166 tors. eta vs tors. theta energy: -9.635 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -278.040222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.040222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.040222 (E_RNA) where: Base-Base interactions energy: -109.158 where: short stacking energy: -101.614 Base-Backbone interact. energy: -0.680 local terms energy: -168.202300 where: bonds (distance) C4'-P energy: -47.134 bonds (distance) P-C4' energy: -62.836 flat angles C4'-P-C4' energy: -39.045 flat angles P-C4'-P energy: -17.926 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1051.204237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.204237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.204237 (E_RNA) where: Base-Base interactions energy: -726.264 where: short stacking energy: -320.392 Base-Backbone interact. energy: -1.499 local terms energy: -323.441360 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -67.057 flat angles C4'-P-C4' energy: -70.681 flat angles P-C4'-P energy: -43.024 tors. eta vs tors. theta energy: -86.839 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: 73 Temperature: 0.950000 Total energy: -992.921610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.921610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.921610 (E_RNA) where: Base-Base interactions energy: -656.872 where: short stacking energy: -324.975 Base-Backbone interact. energy: 1.033 local terms energy: -337.081858 where: bonds (distance) C4'-P energy: -57.639 bonds (distance) P-C4' energy: -59.565 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -99.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -937.889947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.889947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.889947 (E_RNA) where: Base-Base interactions energy: -628.223 where: short stacking energy: -286.525 Base-Backbone interact. energy: -1.105 local terms energy: -308.562285 where: bonds (distance) C4'-P energy: -58.251 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -66.501 flat angles P-C4'-P energy: -38.161 tors. eta vs tors. theta energy: -83.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -827.279822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.279822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.279822 (E_RNA) where: Base-Base interactions energy: -540.751 where: short stacking energy: -250.653 Base-Backbone interact. energy: -0.959 local terms energy: -285.569877 where: bonds (distance) C4'-P energy: -62.123 bonds (distance) P-C4' energy: -59.932 flat angles C4'-P-C4' energy: -64.511 flat angles P-C4'-P energy: -38.769 tors. eta vs tors. theta energy: -60.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -784.841066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.841066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.841066 (E_RNA) where: Base-Base interactions energy: -501.715 where: short stacking energy: -226.081 Base-Backbone interact. energy: -0.993 local terms energy: -282.132785 where: bonds (distance) C4'-P energy: -54.854 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -64.184 flat angles P-C4'-P energy: -41.213 tors. eta vs tors. theta energy: -55.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -730.288904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.288904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.288904 (E_RNA) where: Base-Base interactions energy: -466.875 where: short stacking energy: -218.040 Base-Backbone interact. energy: -1.551 local terms energy: -261.863425 where: bonds (distance) C4'-P energy: -52.902 bonds (distance) P-C4' energy: -54.840 flat angles C4'-P-C4' energy: -62.392 flat angles P-C4'-P energy: -39.180 tors. eta vs tors. theta energy: -52.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -561.921997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.921997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.921997 (E_RNA) where: Base-Base interactions energy: -321.776 where: short stacking energy: -170.763 Base-Backbone interact. energy: -1.676 local terms energy: -238.470905 where: bonds (distance) C4'-P energy: -42.302 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -63.262 flat angles P-C4'-P energy: -31.980 tors. eta vs tors. theta energy: -33.159 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: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -354.600349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.600349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.600349 (E_RNA) where: Base-Base interactions energy: -144.924 where: short stacking energy: -96.423 Base-Backbone interact. energy: -1.776 local terms energy: -207.900431 where: bonds (distance) C4'-P energy: -59.832 bonds (distance) P-C4' energy: -56.733 flat angles C4'-P-C4' energy: -55.353 flat angles P-C4'-P energy: -32.328 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -299.009254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.009254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.009254 (E_RNA) where: Base-Base interactions energy: -127.548 where: short stacking energy: -78.093 Base-Backbone interact. energy: -0.723 local terms energy: -170.738280 where: bonds (distance) C4'-P energy: -50.194 bonds (distance) P-C4' energy: -53.859 flat angles C4'-P-C4' energy: -48.108 flat angles P-C4'-P energy: -30.815 tors. eta vs tors. theta energy: 12.239 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: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -302.143881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.143881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.143881 (E_RNA) where: Base-Base interactions energy: -125.881 where: short stacking energy: -85.614 Base-Backbone interact. energy: -0.942 local terms energy: -175.320609 where: bonds (distance) C4'-P energy: -44.644 bonds (distance) P-C4' energy: -56.925 flat angles C4'-P-C4' energy: -48.835 flat angles P-C4'-P energy: -28.991 tors. eta vs tors. theta energy: 4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1044.463478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.463478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.463478 (E_RNA) where: Base-Base interactions energy: -724.809 where: short stacking energy: -297.418 Base-Backbone interact. energy: -3.040 local terms energy: -316.615087 where: bonds (distance) C4'-P energy: -53.203 bonds (distance) P-C4' energy: -67.263 flat angles C4'-P-C4' energy: -72.644 flat angles P-C4'-P energy: -40.529 tors. eta vs tors. theta energy: -82.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1002.474216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.474216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.474216 (E_RNA) where: Base-Base interactions energy: -660.207 where: short stacking energy: -321.351 Base-Backbone interact. energy: -0.717 local terms energy: -341.549901 where: bonds (distance) C4'-P energy: -68.102 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -63.012 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -96.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -900.759935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.759935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.759935 (E_RNA) where: Base-Base interactions energy: -604.541 where: short stacking energy: -286.652 Base-Backbone interact. energy: -1.645 local terms energy: -294.573392 where: bonds (distance) C4'-P energy: -50.996 bonds (distance) P-C4' energy: -67.784 flat angles C4'-P-C4' energy: -61.151 flat angles P-C4'-P energy: -34.355 tors. eta vs tors. theta energy: -80.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -784.125320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.125320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.125320 (E_RNA) where: Base-Base interactions energy: -512.911 where: short stacking energy: -237.819 Base-Backbone interact. energy: -2.209 local terms energy: -269.005133 where: bonds (distance) C4'-P energy: -60.832 bonds (distance) P-C4' energy: -52.562 flat angles C4'-P-C4' energy: -59.604 flat angles P-C4'-P energy: -37.168 tors. eta vs tors. theta energy: -58.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -772.295108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.295108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.295108 (E_RNA) where: Base-Base interactions energy: -490.348 where: short stacking energy: -209.850 Base-Backbone interact. energy: -2.323 local terms energy: -279.624722 where: bonds (distance) C4'-P energy: -58.348 bonds (distance) P-C4' energy: -46.873 flat angles C4'-P-C4' energy: -66.019 flat angles P-C4'-P energy: -54.043 tors. eta vs tors. theta energy: -54.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -735.840183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.840183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.840183 (E_RNA) where: Base-Base interactions energy: -481.967 where: short stacking energy: -207.351 Base-Backbone interact. energy: -0.155 local terms energy: -253.718292 where: bonds (distance) C4'-P energy: -57.124 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -49.609 flat angles P-C4'-P energy: -40.634 tors. eta vs tors. theta energy: -48.851 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: 74 Temperature: 1.200000 Total energy: -666.872482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.872482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.872482 (E_RNA) where: Base-Base interactions energy: -410.878 where: short stacking energy: -201.710 Base-Backbone interact. energy: -0.014 local terms energy: -255.980046 where: bonds (distance) C4'-P energy: -56.418 bonds (distance) P-C4' energy: -52.704 flat angles C4'-P-C4' energy: -60.304 flat angles P-C4'-P energy: -46.491 tors. eta vs tors. theta energy: -40.063 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: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -371.542240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.542240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.542240 (E_RNA) where: Base-Base interactions energy: -155.349 where: short stacking energy: -99.983 Base-Backbone interact. energy: -1.581 local terms energy: -214.611799 where: bonds (distance) C4'-P energy: -52.219 bonds (distance) P-C4' energy: -64.572 flat angles C4'-P-C4' energy: -56.041 flat angles P-C4'-P energy: -31.874 tors. eta vs tors. theta energy: -9.905 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: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -289.912631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.912631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.912631 (E_RNA) where: Base-Base interactions energy: -94.121 where: short stacking energy: -84.323 Base-Backbone interact. energy: -1.431 local terms energy: -194.360989 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -51.189 flat angles C4'-P-C4' energy: -52.072 flat angles P-C4'-P energy: -31.189 tors. eta vs tors. theta energy: -3.037 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: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -303.911034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.911034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.911034 (E_RNA) where: Base-Base interactions energy: -111.618 where: short stacking energy: -100.643 Base-Backbone interact. energy: 5.721 local terms energy: -198.013687 where: bonds (distance) C4'-P energy: -42.071 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -63.117 flat angles P-C4'-P energy: -36.023 tors. eta vs tors. theta energy: -0.992 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: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1047.801530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.801530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.801530 (E_RNA) where: Base-Base interactions energy: -699.162 where: short stacking energy: -299.273 Base-Backbone interact. energy: -0.994 local terms energy: -347.645600 where: bonds (distance) C4'-P energy: -61.813 bonds (distance) P-C4' energy: -68.161 flat angles C4'-P-C4' energy: -79.125 flat angles P-C4'-P energy: -50.720 tors. eta vs tors. theta energy: -87.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1013.132835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.132835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.132835 (E_RNA) where: Base-Base interactions energy: -652.524 where: short stacking energy: -316.880 Base-Backbone interact. energy: -1.668 local terms energy: -358.940808 where: bonds (distance) C4'-P energy: -67.080 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -72.932 flat angles P-C4'-P energy: -56.546 tors. eta vs tors. theta energy: -96.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -945.217710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.217710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.217710 (E_RNA) where: Base-Base interactions energy: -630.603 where: short stacking energy: -277.266 Base-Backbone interact. energy: -0.565 local terms energy: -314.049791 where: bonds (distance) C4'-P energy: -66.452 bonds (distance) P-C4' energy: -58.180 flat angles C4'-P-C4' energy: -56.064 flat angles P-C4'-P energy: -44.028 tors. eta vs tors. theta energy: -89.326 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: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -797.507652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.507652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.507652 (E_RNA) where: Base-Base interactions energy: -508.596 where: short stacking energy: -250.879 Base-Backbone interact. energy: -3.883 local terms energy: -285.028476 where: bonds (distance) C4'-P energy: -60.672 bonds (distance) P-C4' energy: -69.723 flat angles C4'-P-C4' energy: -58.972 flat angles P-C4'-P energy: -33.921 tors. eta vs tors. theta energy: -61.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -767.878180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.878180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.878180 (E_RNA) where: Base-Base interactions energy: -530.637 where: short stacking energy: -228.615 Base-Backbone interact. energy: -1.103 local terms energy: -236.138179 where: bonds (distance) C4'-P energy: -61.915 bonds (distance) P-C4' energy: -42.247 flat angles C4'-P-C4' energy: -51.024 flat angles P-C4'-P energy: -30.420 tors. eta vs tors. theta energy: -50.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -771.515655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.515655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.515655 (E_RNA) where: Base-Base interactions energy: -509.804 where: short stacking energy: -233.974 Base-Backbone interact. energy: 0.358 local terms energy: -262.069602 where: bonds (distance) C4'-P energy: -53.746 bonds (distance) P-C4' energy: -62.537 flat angles C4'-P-C4' energy: -52.205 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: -56.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -638.970600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.970600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.970600 (E_RNA) where: Base-Base interactions energy: -393.413 where: short stacking energy: -206.933 Base-Backbone interact. energy: -0.196 local terms energy: -245.361985 where: bonds (distance) C4'-P energy: -49.157 bonds (distance) P-C4' energy: -49.259 flat angles C4'-P-C4' energy: -57.048 flat angles P-C4'-P energy: -41.657 tors. eta vs tors. theta energy: -48.241 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: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -393.552137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.552137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.552137 (E_RNA) where: Base-Base interactions energy: -208.815 where: short stacking energy: -134.751 Base-Backbone interact. energy: -0.220 local terms energy: -184.517143 where: bonds (distance) C4'-P energy: -51.596 bonds (distance) P-C4' energy: -44.381 flat angles C4'-P-C4' energy: -49.872 flat angles P-C4'-P energy: -24.111 tors. eta vs tors. theta energy: -14.556 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: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -296.258327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.258327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.258327 (E_RNA) where: Base-Base interactions energy: -129.962 where: short stacking energy: -90.816 Base-Backbone interact. energy: 6.378 local terms energy: -172.673806 where: bonds (distance) C4'-P energy: -51.900 bonds (distance) P-C4' energy: -52.714 flat angles C4'-P-C4' energy: -41.945 flat angles P-C4'-P energy: -24.655 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -283.549809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.549809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.549809 (E_RNA) where: Base-Base interactions energy: -97.915 where: short stacking energy: -85.473 Base-Backbone interact. energy: 1.327 local terms energy: -186.962113 where: bonds (distance) C4'-P energy: -52.781 bonds (distance) P-C4' energy: -63.522 flat angles C4'-P-C4' energy: -42.949 flat angles P-C4'-P energy: -28.233 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: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1027.945611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.945611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.945611 (E_RNA) where: Base-Base interactions energy: -675.629 where: short stacking energy: -319.536 Base-Backbone interact. energy: -2.088 local terms energy: -350.229149 where: bonds (distance) C4'-P energy: -68.663 bonds (distance) P-C4' energy: -66.898 flat angles C4'-P-C4' energy: -70.707 flat angles P-C4'-P energy: -45.189 tors. eta vs tors. theta energy: -98.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1033.123974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.123974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.123974 (E_RNA) where: Base-Base interactions energy: -716.103 where: short stacking energy: -308.537 Base-Backbone interact. energy: -0.114 local terms energy: -316.906958 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -61.608 flat angles C4'-P-C4' energy: -70.283 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: -71.067 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: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -952.090346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.090346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.090346 (E_RNA) where: Base-Base interactions energy: -633.897 where: short stacking energy: -256.374 Base-Backbone interact. energy: -1.707 local terms energy: -316.486010 where: bonds (distance) C4'-P energy: -60.372 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -64.914 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -79.166 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: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -788.114962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.114962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.114962 (E_RNA) where: Base-Base interactions energy: -531.792 where: short stacking energy: -234.196 Base-Backbone interact. energy: 0.022 local terms energy: -256.344881 where: bonds (distance) C4'-P energy: -49.313 bonds (distance) P-C4' energy: -52.961 flat angles C4'-P-C4' energy: -58.693 flat angles P-C4'-P energy: -40.453 tors. eta vs tors. theta energy: -54.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -748.921610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.921610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.921610 (E_RNA) where: Base-Base interactions energy: -493.099 where: short stacking energy: -223.046 Base-Backbone interact. energy: 0.675 local terms energy: -256.497640 where: bonds (distance) C4'-P energy: -49.268 bonds (distance) P-C4' energy: -54.936 flat angles C4'-P-C4' energy: -63.613 flat angles P-C4'-P energy: -37.065 tors. eta vs tors. theta energy: -51.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -706.876766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.876766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.876766 (E_RNA) where: Base-Base interactions energy: -454.657 where: short stacking energy: -187.351 Base-Backbone interact. energy: -1.754 local terms energy: -250.465700 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -55.156 flat angles C4'-P-C4' energy: -53.174 flat angles P-C4'-P energy: -42.648 tors. eta vs tors. theta energy: -39.956 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: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -615.425850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.425850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.425850 (E_RNA) where: Base-Base interactions energy: -378.808 where: short stacking energy: -187.120 Base-Backbone interact. energy: -0.692 local terms energy: -235.925515 where: bonds (distance) C4'-P energy: -58.643 bonds (distance) P-C4' energy: -54.305 flat angles C4'-P-C4' energy: -45.407 flat angles P-C4'-P energy: -35.751 tors. eta vs tors. theta energy: -41.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -402.562338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.562338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.562338 (E_RNA) where: Base-Base interactions energy: -230.967 where: short stacking energy: -132.997 Base-Backbone interact. energy: 0.654 local terms energy: -172.249085 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -47.477 flat angles C4'-P-C4' energy: -36.719 flat angles P-C4'-P energy: -23.939 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -288.490091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.490091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.490091 (E_RNA) where: Base-Base interactions energy: -99.247 where: short stacking energy: -78.761 Base-Backbone interact. energy: -0.073 local terms energy: -189.169354 where: bonds (distance) C4'-P energy: -42.870 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -54.885 flat angles P-C4'-P energy: -28.035 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -307.072484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.072484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.072484 (E_RNA) where: Base-Base interactions energy: -130.343 where: short stacking energy: -69.477 Base-Backbone interact. energy: -1.395 local terms energy: -175.333813 where: bonds (distance) C4'-P energy: -53.763 bonds (distance) P-C4' energy: -55.346 flat angles C4'-P-C4' energy: -38.954 flat angles P-C4'-P energy: -19.999 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1026.429339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.429339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.429339 (E_RNA) where: Base-Base interactions energy: -691.281 where: short stacking energy: -316.174 Base-Backbone interact. energy: -0.830 local terms energy: -334.318075 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -62.759 flat angles C4'-P-C4' energy: -73.580 flat angles P-C4'-P energy: -37.661 tors. eta vs tors. theta energy: -99.341 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: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1050.146117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.146117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.146117 (E_RNA) where: Base-Base interactions energy: -715.514 where: short stacking energy: -325.559 Base-Backbone interact. energy: -1.067 local terms energy: -333.565414 where: bonds (distance) C4'-P energy: -62.772 bonds (distance) P-C4' energy: -69.139 flat angles C4'-P-C4' energy: -62.897 flat angles P-C4'-P energy: -43.784 tors. eta vs tors. theta energy: -94.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -947.547821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.547821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.547821 (E_RNA) where: Base-Base interactions energy: -629.256 where: short stacking energy: -282.252 Base-Backbone interact. energy: 2.517 local terms energy: -320.808528 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -59.928 flat angles C4'-P-C4' energy: -70.839 flat angles P-C4'-P energy: -43.845 tors. eta vs tors. theta energy: -81.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -795.749983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.749983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.749983 (E_RNA) where: Base-Base interactions energy: -522.884 where: short stacking energy: -239.353 Base-Backbone interact. energy: -3.072 local terms energy: -269.793835 where: bonds (distance) C4'-P energy: -54.161 bonds (distance) P-C4' energy: -51.115 flat angles C4'-P-C4' energy: -64.235 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -56.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -790.158508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.158508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.158508 (E_RNA) where: Base-Base interactions energy: -516.619 where: short stacking energy: -208.847 Base-Backbone interact. energy: 0.318 local terms energy: -273.857433 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -57.568 flat angles C4'-P-C4' energy: -65.698 flat angles P-C4'-P energy: -40.228 tors. eta vs tors. theta energy: -56.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -745.474483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.474483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.474483 (E_RNA) where: Base-Base interactions energy: -505.701 where: short stacking energy: -227.011 Base-Backbone interact. energy: -0.058 local terms energy: -239.714600 where: bonds (distance) C4'-P energy: -48.460 bonds (distance) P-C4' energy: -49.679 flat angles C4'-P-C4' energy: -64.601 flat angles P-C4'-P energy: -32.140 tors. eta vs tors. theta energy: -44.834 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: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -638.583163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.583163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.583163 (E_RNA) where: Base-Base interactions energy: -404.123 where: short stacking energy: -193.105 Base-Backbone interact. energy: -0.162 local terms energy: -234.297986 where: bonds (distance) C4'-P energy: -46.003 bonds (distance) P-C4' energy: -59.598 flat angles C4'-P-C4' energy: -55.405 flat angles P-C4'-P energy: -27.137 tors. eta vs tors. theta energy: -46.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -423.640400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.640400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.640400 (E_RNA) where: Base-Base interactions energy: -212.867 where: short stacking energy: -126.438 Base-Backbone interact. energy: 0.280 local terms energy: -211.053035 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -56.123 flat angles C4'-P-C4' energy: -51.111 flat angles P-C4'-P energy: -35.019 tors. eta vs tors. theta energy: -6.553 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: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -330.466541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.466541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.466541 (E_RNA) where: Base-Base interactions energy: -148.813 where: short stacking energy: -86.927 Base-Backbone interact. energy: -0.826 local terms energy: -180.827169 where: bonds (distance) C4'-P energy: -59.596 bonds (distance) P-C4' energy: -59.058 flat angles C4'-P-C4' energy: -39.458 flat angles P-C4'-P energy: -26.684 tors. eta vs tors. theta energy: 3.969 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: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -265.763248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.763248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.763248 (E_RNA) where: Base-Base interactions energy: -94.772 where: short stacking energy: -85.111 Base-Backbone interact. energy: -1.433 local terms energy: -169.558734 where: bonds (distance) C4'-P energy: -45.905 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -36.748 flat angles P-C4'-P energy: -13.680 tors. eta vs tors. theta energy: -12.729 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: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1067.824143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.824143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.824143 (E_RNA) where: Base-Base interactions energy: -723.194 where: short stacking energy: -311.315 Base-Backbone interact. energy: -0.354 local terms energy: -344.276339 where: bonds (distance) C4'-P energy: -69.692 bonds (distance) P-C4' energy: -60.277 flat angles C4'-P-C4' energy: -70.281 flat angles P-C4'-P energy: -49.724 tors. eta vs tors. theta energy: -94.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -981.506936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.506936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.506936 (E_RNA) where: Base-Base interactions energy: -638.394 where: short stacking energy: -293.906 Base-Backbone interact. energy: 1.412 local terms energy: -344.524351 where: bonds (distance) C4'-P energy: -72.928 bonds (distance) P-C4' energy: -68.656 flat angles C4'-P-C4' energy: -64.785 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -98.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -914.522435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.522435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.522435 (E_RNA) where: Base-Base interactions energy: -623.837 where: short stacking energy: -267.067 Base-Backbone interact. energy: 0.507 local terms energy: -291.192215 where: bonds (distance) C4'-P energy: -54.341 bonds (distance) P-C4' energy: -67.206 flat angles C4'-P-C4' energy: -64.227 flat angles P-C4'-P energy: -35.231 tors. eta vs tors. theta energy: -70.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -795.173082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.173082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.173082 (E_RNA) where: Base-Base interactions energy: -512.939 where: short stacking energy: -235.327 Base-Backbone interact. energy: 2.450 local terms energy: -284.684383 where: bonds (distance) C4'-P energy: -55.854 bonds (distance) P-C4' energy: -68.229 flat angles C4'-P-C4' energy: -53.127 flat angles P-C4'-P energy: -51.732 tors. eta vs tors. theta energy: -55.742 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: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -815.946215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.946215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.946215 (E_RNA) where: Base-Base interactions energy: -534.772 where: short stacking energy: -230.843 Base-Backbone interact. energy: 2.564 local terms energy: -283.738094 where: bonds (distance) C4'-P energy: -50.245 bonds (distance) P-C4' energy: -64.001 flat angles C4'-P-C4' energy: -69.653 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -53.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -679.848721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.848721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.848721 (E_RNA) where: Base-Base interactions energy: -423.946 where: short stacking energy: -189.437 Base-Backbone interact. energy: -0.614 local terms energy: -255.288451 where: bonds (distance) C4'-P energy: -55.896 bonds (distance) P-C4' energy: -67.105 flat angles C4'-P-C4' energy: -59.361 flat angles P-C4'-P energy: -34.648 tors. eta vs tors. theta energy: -38.279 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: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -664.486804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.486804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.486804 (E_RNA) where: Base-Base interactions energy: -426.599 where: short stacking energy: -210.983 Base-Backbone interact. energy: -2.316 local terms energy: -235.571368 where: bonds (distance) C4'-P energy: -45.771 bonds (distance) P-C4' energy: -50.245 flat angles C4'-P-C4' energy: -60.637 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -38.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -423.743034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.743034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.743034 (E_RNA) where: Base-Base interactions energy: -239.859 where: short stacking energy: -110.369 Base-Backbone interact. energy: -0.321 local terms energy: -183.562414 where: bonds (distance) C4'-P energy: -48.890 bonds (distance) P-C4' energy: -48.643 flat angles C4'-P-C4' energy: -64.777 flat angles P-C4'-P energy: -23.358 tors. eta vs tors. theta energy: 2.106 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: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -341.066661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.066661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.066661 (E_RNA) where: Base-Base interactions energy: -151.183 where: short stacking energy: -79.351 Base-Backbone interact. energy: 0.987 local terms energy: -190.870914 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -49.134 flat angles P-C4'-P energy: -34.523 tors. eta vs tors. theta energy: 10.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -254.901075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.901075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.901075 (E_RNA) where: Base-Base interactions energy: -80.600 where: short stacking energy: -77.397 Base-Backbone interact. energy: 1.165 local terms energy: -175.465795 where: bonds (distance) C4'-P energy: -50.422 bonds (distance) P-C4' energy: -65.611 flat angles C4'-P-C4' energy: -43.894 flat angles P-C4'-P energy: -21.612 tors. eta vs tors. theta energy: 6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1055.633055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.633055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.633055 (E_RNA) where: Base-Base interactions energy: -715.407 where: short stacking energy: -313.915 Base-Backbone interact. energy: -1.714 local terms energy: -338.512720 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -58.606 flat angles C4'-P-C4' energy: -75.296 flat angles P-C4'-P energy: -48.188 tors. eta vs tors. theta energy: -90.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -979.105137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.105137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.105137 (E_RNA) where: Base-Base interactions energy: -651.229 where: short stacking energy: -308.564 Base-Backbone interact. energy: -1.447 local terms energy: -326.429502 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -68.032 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -30.677 tors. eta vs tors. theta energy: -98.209 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -901.449778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.449778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.449778 (E_RNA) where: Base-Base interactions energy: -617.744 where: short stacking energy: -251.297 Base-Backbone interact. energy: -2.270 local terms energy: -281.435645 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -56.291 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -73.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -850.153348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.153348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.153348 (E_RNA) where: Base-Base interactions energy: -563.753 where: short stacking energy: -246.022 Base-Backbone interact. energy: -1.534 local terms energy: -284.867044 where: bonds (distance) C4'-P energy: -66.034 bonds (distance) P-C4' energy: -48.677 flat angles C4'-P-C4' energy: -61.792 flat angles P-C4'-P energy: -41.540 tors. eta vs tors. theta energy: -66.825 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: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -780.104511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.104511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.104511 (E_RNA) where: Base-Base interactions energy: -519.343 where: short stacking energy: -235.578 Base-Backbone interact. energy: -1.659 local terms energy: -259.102466 where: bonds (distance) C4'-P energy: -59.557 bonds (distance) P-C4' energy: -49.285 flat angles C4'-P-C4' energy: -62.297 flat angles P-C4'-P energy: -34.028 tors. eta vs tors. theta energy: -53.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -724.355051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.355051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.355051 (E_RNA) where: Base-Base interactions energy: -472.099 where: short stacking energy: -225.461 Base-Backbone interact. energy: -0.020 local terms energy: -252.235910 where: bonds (distance) C4'-P energy: -44.745 bonds (distance) P-C4' energy: -51.901 flat angles C4'-P-C4' energy: -50.565 flat angles P-C4'-P energy: -46.314 tors. eta vs tors. theta energy: -58.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -654.953278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.953278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.953278 (E_RNA) where: Base-Base interactions energy: -397.817 where: short stacking energy: -200.130 Base-Backbone interact. energy: -0.661 local terms energy: -256.475449 where: bonds (distance) C4'-P energy: -55.800 bonds (distance) P-C4' energy: -59.526 flat angles C4'-P-C4' energy: -64.834 flat angles P-C4'-P energy: -34.888 tors. eta vs tors. theta energy: -41.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -498.272248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.272248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.272248 (E_RNA) where: Base-Base interactions energy: -267.897 where: short stacking energy: -138.329 Base-Backbone interact. energy: 2.099 local terms energy: -232.474150 where: bonds (distance) C4'-P energy: -49.158 bonds (distance) P-C4' energy: -56.517 flat angles C4'-P-C4' energy: -72.545 flat angles P-C4'-P energy: -34.381 tors. eta vs tors. theta energy: -19.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -297.906303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.906303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.906303 (E_RNA) where: Base-Base interactions energy: -119.676 where: short stacking energy: -99.241 Base-Backbone interact. energy: -0.380 local terms energy: -177.850562 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -48.393 flat angles C4'-P-C4' energy: -36.742 flat angles P-C4'-P energy: -23.378 tors. eta vs tors. theta energy: -11.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -305.220782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.220782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.220782 (E_RNA) where: Base-Base interactions energy: -119.089 where: short stacking energy: -80.371 Base-Backbone interact. energy: -0.104 local terms energy: -186.027744 where: bonds (distance) C4'-P energy: -53.508 bonds (distance) P-C4' energy: -58.137 flat angles C4'-P-C4' energy: -54.104 flat angles P-C4'-P energy: -29.216 tors. eta vs tors. theta energy: 8.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1057.778766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.778766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.778766 (E_RNA) where: Base-Base interactions energy: -741.652 where: short stacking energy: -310.609 Base-Backbone interact. energy: -2.018 local terms energy: -314.108926 where: bonds (distance) C4'-P energy: -61.414 bonds (distance) P-C4' energy: -47.888 flat angles C4'-P-C4' energy: -74.671 flat angles P-C4'-P energy: -40.879 tors. eta vs tors. theta energy: -89.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -982.012439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.012439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.012439 (E_RNA) where: Base-Base interactions energy: -647.095 where: short stacking energy: -326.395 Base-Backbone interact. energy: -0.567 local terms energy: -334.350508 where: bonds (distance) C4'-P energy: -65.478 bonds (distance) P-C4' energy: -54.484 flat angles C4'-P-C4' energy: -72.174 flat angles P-C4'-P energy: -45.528 tors. eta vs tors. theta energy: -96.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -918.266674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.266674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.266674 (E_RNA) where: Base-Base interactions energy: -601.665 where: short stacking energy: -258.012 Base-Backbone interact. energy: -3.157 local terms energy: -313.444530 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -62.697 flat angles C4'-P-C4' energy: -71.080 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: -75.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -884.865565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.865565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.865565 (E_RNA) where: Base-Base interactions energy: -586.296 where: short stacking energy: -261.044 Base-Backbone interact. energy: -1.115 local terms energy: -297.454125 where: bonds (distance) C4'-P energy: -58.322 bonds (distance) P-C4' energy: -49.066 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -47.062 tors. eta vs tors. theta energy: -71.388 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: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -764.601513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.601513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.601513 (E_RNA) where: Base-Base interactions energy: -499.734 where: short stacking energy: -213.022 Base-Backbone interact. energy: 1.410 local terms energy: -266.277075 where: bonds (distance) C4'-P energy: -64.938 bonds (distance) P-C4' energy: -57.280 flat angles C4'-P-C4' energy: -62.259 flat angles P-C4'-P energy: -37.995 tors. eta vs tors. theta energy: -43.805 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: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -739.650394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.650394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.650394 (E_RNA) where: Base-Base interactions energy: -484.775 where: short stacking energy: -234.151 Base-Backbone interact. energy: -0.794 local terms energy: -254.081347 where: bonds (distance) C4'-P energy: -55.321 bonds (distance) P-C4' energy: -48.911 flat angles C4'-P-C4' energy: -53.952 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: -52.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -634.493877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.493877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.493877 (E_RNA) where: Base-Base interactions energy: -393.452 where: short stacking energy: -180.276 Base-Backbone interact. energy: 1.285 local terms energy: -242.326668 where: bonds (distance) C4'-P energy: -45.026 bonds (distance) P-C4' energy: -57.124 flat angles C4'-P-C4' energy: -53.980 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -49.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -480.242407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.242407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.242407 (E_RNA) where: Base-Base interactions energy: -260.784 where: short stacking energy: -130.764 Base-Backbone interact. energy: 0.207 local terms energy: -219.665483 where: bonds (distance) C4'-P energy: -58.076 bonds (distance) P-C4' energy: -59.281 flat angles C4'-P-C4' energy: -50.807 flat angles P-C4'-P energy: -42.205 tors. eta vs tors. theta energy: -9.296 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: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -387.609890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.609890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.609890 (E_RNA) where: Base-Base interactions energy: -206.549 where: short stacking energy: -122.776 Base-Backbone interact. energy: 0.154 local terms energy: -181.214597 where: bonds (distance) C4'-P energy: -41.570 bonds (distance) P-C4' energy: -57.988 flat angles C4'-P-C4' energy: -48.328 flat angles P-C4'-P energy: -24.265 tors. eta vs tors. theta energy: -9.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -269.326242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.326242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.326242 (E_RNA) where: Base-Base interactions energy: -100.412 where: short stacking energy: -60.550 Base-Backbone interact. energy: 1.484 local terms energy: -170.398399 where: bonds (distance) C4'-P energy: -55.489 bonds (distance) P-C4' energy: -63.299 flat angles C4'-P-C4' energy: -40.882 flat angles P-C4'-P energy: -26.498 tors. eta vs tors. theta energy: 15.771 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: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1024.323506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.323506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.323506 (E_RNA) where: Base-Base interactions energy: -707.634 where: short stacking energy: -308.257 Base-Backbone interact. energy: -1.165 local terms energy: -315.524771 where: bonds (distance) C4'-P energy: -59.184 bonds (distance) P-C4' energy: -57.862 flat angles C4'-P-C4' energy: -62.022 flat angles P-C4'-P energy: -54.122 tors. eta vs tors. theta energy: -82.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -976.507463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.507463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.507463 (E_RNA) where: Base-Base interactions energy: -644.429 where: short stacking energy: -309.031 Base-Backbone interact. energy: 0.291 local terms energy: -332.369599 where: bonds (distance) C4'-P energy: -67.405 bonds (distance) P-C4' energy: -55.988 flat angles C4'-P-C4' energy: -73.126 flat angles P-C4'-P energy: -47.204 tors. eta vs tors. theta energy: -88.645 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: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -908.298506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.298506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.298506 (E_RNA) where: Base-Base interactions energy: -604.622 where: short stacking energy: -272.010 Base-Backbone interact. energy: -1.071 local terms energy: -302.605645 where: bonds (distance) C4'-P energy: -56.264 bonds (distance) P-C4' energy: -69.856 flat angles C4'-P-C4' energy: -68.519 flat angles P-C4'-P energy: -30.130 tors. eta vs tors. theta energy: -77.836 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: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -844.804839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.804839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.804839 (E_RNA) where: Base-Base interactions energy: -558.258 where: short stacking energy: -256.765 Base-Backbone interact. energy: 0.352 local terms energy: -286.898942 where: bonds (distance) C4'-P energy: -53.041 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -72.053 flat angles P-C4'-P energy: -42.331 tors. eta vs tors. theta energy: -57.255 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: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -776.628775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.628775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.628775 (E_RNA) where: Base-Base interactions energy: -508.412 where: short stacking energy: -222.779 Base-Backbone interact. energy: -0.622 local terms energy: -267.595519 where: bonds (distance) C4'-P energy: -47.639 bonds (distance) P-C4' energy: -48.019 flat angles C4'-P-C4' energy: -69.244 flat angles P-C4'-P energy: -53.701 tors. eta vs tors. theta energy: -48.993 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: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -720.712813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.712813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.712813 (E_RNA) where: Base-Base interactions energy: -469.520 where: short stacking energy: -220.389 Base-Backbone interact. energy: -1.061 local terms energy: -250.132022 where: bonds (distance) C4'-P energy: -48.446 bonds (distance) P-C4' energy: -52.471 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -37.979 tors. eta vs tors. theta energy: -50.281 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: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -654.767385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.767385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.767385 (E_RNA) where: Base-Base interactions energy: -385.695 where: short stacking energy: -170.138 Base-Backbone interact. energy: -1.457 local terms energy: -267.615665 where: bonds (distance) C4'-P energy: -57.675 bonds (distance) P-C4' energy: -57.361 flat angles C4'-P-C4' energy: -58.313 flat angles P-C4'-P energy: -48.528 tors. eta vs tors. theta energy: -45.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -486.004424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.004424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.004424 (E_RNA) where: Base-Base interactions energy: -268.906 where: short stacking energy: -133.135 Base-Backbone interact. energy: -1.141 local terms energy: -215.957017 where: bonds (distance) C4'-P energy: -58.829 bonds (distance) P-C4' energy: -52.797 flat angles C4'-P-C4' energy: -54.946 flat angles P-C4'-P energy: -28.035 tors. eta vs tors. theta energy: -21.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -311.122708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.122708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.122708 (E_RNA) where: Base-Base interactions energy: -132.292 where: short stacking energy: -103.433 Base-Backbone interact. energy: -1.117 local terms energy: -177.714647 where: bonds (distance) C4'-P energy: -55.040 bonds (distance) P-C4' energy: -52.440 flat angles C4'-P-C4' energy: -42.620 flat angles P-C4'-P energy: -25.456 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -271.625422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.625422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.625422 (E_RNA) where: Base-Base interactions energy: -105.661 where: short stacking energy: -91.862 Base-Backbone interact. energy: -0.520 local terms energy: -165.444287 where: bonds (distance) C4'-P energy: -47.200 bonds (distance) P-C4' energy: -47.667 flat angles C4'-P-C4' energy: -41.497 flat angles P-C4'-P energy: -29.894 tors. eta vs tors. theta energy: 0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1041.157434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.157434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.157434 (E_RNA) where: Base-Base interactions energy: -712.360 where: short stacking energy: -294.716 Base-Backbone interact. energy: -0.614 local terms energy: -328.183771 where: bonds (distance) C4'-P energy: -73.179 bonds (distance) P-C4' energy: -70.536 flat angles C4'-P-C4' energy: -57.306 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -84.802 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: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -993.001304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.001304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.001304 (E_RNA) where: Base-Base interactions energy: -655.368 where: short stacking energy: -308.574 Base-Backbone interact. energy: -2.130 local terms energy: -335.503815 where: bonds (distance) C4'-P energy: -65.350 bonds (distance) P-C4' energy: -62.996 flat angles C4'-P-C4' energy: -73.937 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -85.710 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: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -908.844077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.844077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.844077 (E_RNA) where: Base-Base interactions energy: -593.954 where: short stacking energy: -281.860 Base-Backbone interact. energy: -0.957 local terms energy: -313.933054 where: bonds (distance) C4'-P energy: -65.878 bonds (distance) P-C4' energy: -66.950 flat angles C4'-P-C4' energy: -62.436 flat angles P-C4'-P energy: -34.684 tors. eta vs tors. theta energy: -83.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -895.545480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.545480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.545480 (E_RNA) where: Base-Base interactions energy: -606.199 where: short stacking energy: -284.309 Base-Backbone interact. energy: -1.155 local terms energy: -288.191398 where: bonds (distance) C4'-P energy: -59.676 bonds (distance) P-C4' energy: -53.853 flat angles C4'-P-C4' energy: -59.682 flat angles P-C4'-P energy: -39.850 tors. eta vs tors. theta energy: -75.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -775.930997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.930997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.930997 (E_RNA) where: Base-Base interactions energy: -495.962 where: short stacking energy: -200.238 Base-Backbone interact. energy: 2.694 local terms energy: -282.663051 where: bonds (distance) C4'-P energy: -62.094 bonds (distance) P-C4' energy: -73.452 flat angles C4'-P-C4' energy: -65.242 flat angles P-C4'-P energy: -29.351 tors. eta vs tors. theta energy: -52.524 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: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -721.046270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.046270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.046270 (E_RNA) where: Base-Base interactions energy: -467.192 where: short stacking energy: -208.040 Base-Backbone interact. energy: -1.908 local terms energy: -251.946184 where: bonds (distance) C4'-P energy: -59.768 bonds (distance) P-C4' energy: -49.216 flat angles C4'-P-C4' energy: -63.836 flat angles P-C4'-P energy: -27.547 tors. eta vs tors. theta energy: -51.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -633.205500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.205500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.205500 (E_RNA) where: Base-Base interactions energy: -358.273 where: short stacking energy: -184.112 Base-Backbone interact. energy: -2.196 local terms energy: -272.735865 where: bonds (distance) C4'-P energy: -58.042 bonds (distance) P-C4' energy: -73.236 flat angles C4'-P-C4' energy: -57.497 flat angles P-C4'-P energy: -41.583 tors. eta vs tors. theta energy: -42.378 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: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -420.385013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.385013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.385013 (E_RNA) where: Base-Base interactions energy: -236.761 where: short stacking energy: -114.799 Base-Backbone interact. energy: -1.104 local terms energy: -182.519672 where: bonds (distance) C4'-P energy: -39.455 bonds (distance) P-C4' energy: -50.075 flat angles C4'-P-C4' energy: -52.665 flat angles P-C4'-P energy: -30.292 tors. eta vs tors. theta energy: -10.033 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: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -295.096382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.096382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.096382 (E_RNA) where: Base-Base interactions energy: -103.065 where: short stacking energy: -93.195 Base-Backbone interact. energy: 0.036 local terms energy: -192.067388 where: bonds (distance) C4'-P energy: -52.057 bonds (distance) P-C4' energy: -53.206 flat angles C4'-P-C4' energy: -44.001 flat angles P-C4'-P energy: -26.603 tors. eta vs tors. theta energy: -16.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -274.380644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.380644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.380644 (E_RNA) where: Base-Base interactions energy: -110.623 where: short stacking energy: -89.445 Base-Backbone interact. energy: -0.947 local terms energy: -162.810658 where: bonds (distance) C4'-P energy: -37.341 bonds (distance) P-C4' energy: -54.928 flat angles C4'-P-C4' energy: -42.195 flat angles P-C4'-P energy: -22.433 tors. eta vs tors. theta energy: -5.913 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: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1073.632633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.632633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.632633 (E_RNA) where: Base-Base interactions energy: -728.376 where: short stacking energy: -318.429 Base-Backbone interact. energy: -1.865 local terms energy: -343.391415 where: bonds (distance) C4'-P energy: -70.653 bonds (distance) P-C4' energy: -61.357 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -53.073 tors. eta vs tors. theta energy: -86.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1008.647601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.647601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.647601 (E_RNA) where: Base-Base interactions energy: -657.146 where: short stacking energy: -330.170 Base-Backbone interact. energy: -2.292 local terms energy: -349.209698 where: bonds (distance) C4'-P energy: -67.239 bonds (distance) P-C4' energy: -68.118 flat angles C4'-P-C4' energy: -71.339 flat angles P-C4'-P energy: -45.052 tors. eta vs tors. theta energy: -97.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -929.135773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.135773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.135773 (E_RNA) where: Base-Base interactions energy: -632.975 where: short stacking energy: -289.700 Base-Backbone interact. energy: -1.445 local terms energy: -294.716382 where: bonds (distance) C4'-P energy: -41.783 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -64.347 flat angles P-C4'-P energy: -45.364 tors. eta vs tors. theta energy: -81.567 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: 83 Temperature: 1.050000 Total energy: -866.541272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.541272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.541272 (E_RNA) where: Base-Base interactions energy: -591.233 where: short stacking energy: -240.939 Base-Backbone interact. energy: -2.328 local terms energy: -272.979692 where: bonds (distance) C4'-P energy: -49.971 bonds (distance) P-C4' energy: -59.382 flat angles C4'-P-C4' energy: -57.294 flat angles P-C4'-P energy: -41.050 tors. eta vs tors. theta energy: -65.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -785.625889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.625889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.625889 (E_RNA) where: Base-Base interactions energy: -505.857 where: short stacking energy: -217.140 Base-Backbone interact. energy: -0.080 local terms energy: -279.688883 where: bonds (distance) C4'-P energy: -55.752 bonds (distance) P-C4' energy: -66.139 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -37.507 tors. eta vs tors. theta energy: -50.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -757.659223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.659223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.659223 (E_RNA) where: Base-Base interactions energy: -478.445 where: short stacking energy: -236.446 Base-Backbone interact. energy: 0.662 local terms energy: -279.876232 where: bonds (distance) C4'-P energy: -53.323 bonds (distance) P-C4' energy: -67.901 flat angles C4'-P-C4' energy: -60.729 flat angles P-C4'-P energy: -38.357 tors. eta vs tors. theta energy: -59.566 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: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -600.559901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.559901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.559901 (E_RNA) where: Base-Base interactions energy: -373.105 where: short stacking energy: -188.795 Base-Backbone interact. energy: -1.561 local terms energy: -225.893815 where: bonds (distance) C4'-P energy: -52.426 bonds (distance) P-C4' energy: -51.804 flat angles C4'-P-C4' energy: -57.573 flat angles P-C4'-P energy: -26.115 tors. eta vs tors. theta energy: -37.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -447.983343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.983343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.983343 (E_RNA) where: Base-Base interactions energy: -240.013 where: short stacking energy: -136.774 Base-Backbone interact. energy: 1.779 local terms energy: -209.749158 where: bonds (distance) C4'-P energy: -51.125 bonds (distance) P-C4' energy: -56.064 flat angles C4'-P-C4' energy: -37.279 flat angles P-C4'-P energy: -42.883 tors. eta vs tors. theta energy: -22.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -293.817487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.817487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.817487 (E_RNA) where: Base-Base interactions energy: -103.465 where: short stacking energy: -91.458 Base-Backbone interact. energy: -0.654 local terms energy: -189.698319 where: bonds (distance) C4'-P energy: -53.145 bonds (distance) P-C4' energy: -55.464 flat angles C4'-P-C4' energy: -51.982 flat angles P-C4'-P energy: -31.520 tors. eta vs tors. theta energy: 2.413 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: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -253.071054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.071054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.071054 (E_RNA) where: Base-Base interactions energy: -79.630 where: short stacking energy: -66.811 Base-Backbone interact. energy: -0.264 local terms energy: -173.176535 where: bonds (distance) C4'-P energy: -59.281 bonds (distance) P-C4' energy: -52.555 flat angles C4'-P-C4' energy: -49.023 flat angles P-C4'-P energy: -33.399 tors. eta vs tors. theta energy: 21.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1075.017431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.017431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.017431 (E_RNA) where: Base-Base interactions energy: -734.067 where: short stacking energy: -324.041 Base-Backbone interact. energy: -1.416 local terms energy: -339.533846 where: bonds (distance) C4'-P energy: -64.292 bonds (distance) P-C4' energy: -67.844 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -48.217 tors. eta vs tors. theta energy: -90.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -994.694883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.694883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.694883 (E_RNA) where: Base-Base interactions energy: -672.553 where: short stacking energy: -300.812 Base-Backbone interact. energy: -2.383 local terms energy: -319.759693 where: bonds (distance) C4'-P energy: -59.664 bonds (distance) P-C4' energy: -61.740 flat angles C4'-P-C4' energy: -69.933 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -83.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -919.352034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.352034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.352034 (E_RNA) where: Base-Base interactions energy: -610.452 where: short stacking energy: -282.819 Base-Backbone interact. energy: 0.501 local terms energy: -309.401080 where: bonds (distance) C4'-P energy: -63.283 bonds (distance) P-C4' energy: -55.307 flat angles C4'-P-C4' energy: -66.514 flat angles P-C4'-P energy: -46.388 tors. eta vs tors. theta energy: -77.910 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: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -886.929343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.929343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.929343 (E_RNA) where: Base-Base interactions energy: -593.863 where: short stacking energy: -265.748 Base-Backbone interact. energy: -1.155 local terms energy: -291.912071 where: bonds (distance) C4'-P energy: -55.121 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -60.989 flat angles P-C4'-P energy: -40.788 tors. eta vs tors. theta energy: -70.837 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: 5, replica: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -818.980503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.980503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.980503 (E_RNA) where: Base-Base interactions energy: -549.157 where: short stacking energy: -238.913 Base-Backbone interact. energy: 1.224 local terms energy: -271.047673 where: bonds (distance) C4'-P energy: -51.848 bonds (distance) P-C4' energy: -55.189 flat angles C4'-P-C4' energy: -66.822 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -57.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -721.910524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.910524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.910524 (E_RNA) where: Base-Base interactions energy: -444.662 where: short stacking energy: -207.335 Base-Backbone interact. energy: -1.870 local terms energy: -275.378429 where: bonds (distance) C4'-P energy: -60.523 bonds (distance) P-C4' energy: -59.905 flat angles C4'-P-C4' energy: -60.575 flat angles P-C4'-P energy: -38.447 tors. eta vs tors. theta energy: -55.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -635.688533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.688533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.688533 (E_RNA) where: Base-Base interactions energy: -391.902 where: short stacking energy: -183.392 Base-Backbone interact. energy: -2.056 local terms energy: -241.730400 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -59.873 flat angles C4'-P-C4' energy: -57.620 flat angles P-C4'-P energy: -29.135 tors. eta vs tors. theta energy: -35.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -479.113919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.113919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.113919 (E_RNA) where: Base-Base interactions energy: -258.681 where: short stacking energy: -127.218 Base-Backbone interact. energy: -0.791 local terms energy: -219.641932 where: bonds (distance) C4'-P energy: -56.683 bonds (distance) P-C4' energy: -54.949 flat angles C4'-P-C4' energy: -63.421 flat angles P-C4'-P energy: -35.177 tors. eta vs tors. theta energy: -9.413 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: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -291.852527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.852527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.852527 (E_RNA) where: Base-Base interactions energy: -118.088 where: short stacking energy: -85.264 Base-Backbone interact. energy: -1.576 local terms energy: -172.188217 where: bonds (distance) C4'-P energy: -47.920 bonds (distance) P-C4' energy: -42.454 flat angles C4'-P-C4' energy: -50.591 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: 7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -311.539026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.539026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.539026 (E_RNA) where: Base-Base interactions energy: -148.869 where: short stacking energy: -95.476 Base-Backbone interact. energy: 3.294 local terms energy: -165.963663 where: bonds (distance) C4'-P energy: -47.801 bonds (distance) P-C4' energy: -45.003 flat angles C4'-P-C4' energy: -44.770 flat angles P-C4'-P energy: -26.072 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1074.078532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.078532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.078532 (E_RNA) where: Base-Base interactions energy: -747.391 where: short stacking energy: -308.844 Base-Backbone interact. energy: -1.889 local terms energy: -324.798497 where: bonds (distance) C4'-P energy: -57.065 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -68.803 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: -89.584 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: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -955.543428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.543428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.543428 (E_RNA) where: Base-Base interactions energy: -648.689 where: short stacking energy: -286.855 Base-Backbone interact. energy: 0.005 local terms energy: -306.859220 where: bonds (distance) C4'-P energy: -58.653 bonds (distance) P-C4' energy: -61.617 flat angles C4'-P-C4' energy: -60.473 flat angles P-C4'-P energy: -48.500 tors. eta vs tors. theta energy: -77.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -978.724454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.724454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.724454 (E_RNA) where: Base-Base interactions energy: -647.243 where: short stacking energy: -291.588 Base-Backbone interact. energy: -0.755 local terms energy: -330.726824 where: bonds (distance) C4'-P energy: -72.399 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -66.015 flat angles P-C4'-P energy: -36.295 tors. eta vs tors. theta energy: -91.192 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: 85 Temperature: 1.050000 Total energy: -851.796986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.796986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.796986 (E_RNA) where: Base-Base interactions energy: -554.779 where: short stacking energy: -228.692 Base-Backbone interact. energy: -1.073 local terms energy: -295.945258 where: bonds (distance) C4'-P energy: -60.982 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -57.154 flat angles P-C4'-P energy: -45.576 tors. eta vs tors. theta energy: -58.794 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: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -849.630414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.630414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.630414 (E_RNA) where: Base-Base interactions energy: -589.612 where: short stacking energy: -264.132 Base-Backbone interact. energy: 3.578 local terms energy: -263.596371 where: bonds (distance) C4'-P energy: -52.831 bonds (distance) P-C4' energy: -50.027 flat angles C4'-P-C4' energy: -59.452 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: -61.176 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: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -729.804497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.804497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.804497 (E_RNA) where: Base-Base interactions energy: -455.916 where: short stacking energy: -201.217 Base-Backbone interact. energy: -1.019 local terms energy: -272.869956 where: bonds (distance) C4'-P energy: -62.690 bonds (distance) P-C4' energy: -65.474 flat angles C4'-P-C4' energy: -57.205 flat angles P-C4'-P energy: -39.951 tors. eta vs tors. theta energy: -47.551 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: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -655.816533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.816533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.816533 (E_RNA) where: Base-Base interactions energy: -412.700 where: short stacking energy: -207.567 Base-Backbone interact. energy: -0.678 local terms energy: -242.439067 where: bonds (distance) C4'-P energy: -60.835 bonds (distance) P-C4' energy: -61.341 flat angles C4'-P-C4' energy: -47.321 flat angles P-C4'-P energy: -30.119 tors. eta vs tors. theta energy: -42.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -501.531092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.531092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.531092 (E_RNA) where: Base-Base interactions energy: -299.287 where: short stacking energy: -153.876 Base-Backbone interact. energy: 4.226 local terms energy: -206.469971 where: bonds (distance) C4'-P energy: -52.973 bonds (distance) P-C4' energy: -59.159 flat angles C4'-P-C4' energy: -53.383 flat angles P-C4'-P energy: -28.962 tors. eta vs tors. theta energy: -11.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -305.218233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.218233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.218233 (E_RNA) where: Base-Base interactions energy: -121.799 where: short stacking energy: -104.130 Base-Backbone interact. energy: -1.554 local terms energy: -181.865459 where: bonds (distance) C4'-P energy: -41.820 bonds (distance) P-C4' energy: -55.299 flat angles C4'-P-C4' energy: -60.480 flat angles P-C4'-P energy: -21.539 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -268.400340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.400340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.400340 (E_RNA) where: Base-Base interactions energy: -89.884 where: short stacking energy: -85.739 Base-Backbone interact. energy: -0.414 local terms energy: -178.102298 where: bonds (distance) C4'-P energy: -54.169 bonds (distance) P-C4' energy: -50.855 flat angles C4'-P-C4' energy: -48.075 flat angles P-C4'-P energy: -38.913 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: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1062.796642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.796642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.796642 (E_RNA) where: Base-Base interactions energy: -731.734 where: short stacking energy: -314.851 Base-Backbone interact. energy: -1.812 local terms energy: -329.250242 where: bonds (distance) C4'-P energy: -68.544 bonds (distance) P-C4' energy: -66.071 flat angles C4'-P-C4' energy: -67.438 flat angles P-C4'-P energy: -45.193 tors. eta vs tors. theta energy: -82.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -953.220252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.220252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.220252 (E_RNA) where: Base-Base interactions energy: -625.707 where: short stacking energy: -306.047 Base-Backbone interact. energy: -0.626 local terms energy: -326.887290 where: bonds (distance) C4'-P energy: -60.927 bonds (distance) P-C4' energy: -59.612 flat angles C4'-P-C4' energy: -73.723 flat angles P-C4'-P energy: -43.514 tors. eta vs tors. theta energy: -89.111 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: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -976.178687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.178687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.178687 (E_RNA) where: Base-Base interactions energy: -637.936 where: short stacking energy: -305.330 Base-Backbone interact. energy: 0.248 local terms energy: -338.490289 where: bonds (distance) C4'-P energy: -63.704 bonds (distance) P-C4' energy: -68.793 flat angles C4'-P-C4' energy: -66.939 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -94.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -844.573777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.573777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.573777 (E_RNA) where: Base-Base interactions energy: -552.018 where: short stacking energy: -233.926 Base-Backbone interact. energy: -1.478 local terms energy: -291.077579 where: bonds (distance) C4'-P energy: -62.790 bonds (distance) P-C4' energy: -67.634 flat angles C4'-P-C4' energy: -52.915 flat angles P-C4'-P energy: -43.781 tors. eta vs tors. theta energy: -63.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -823.462858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.462858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.462858 (E_RNA) where: Base-Base interactions energy: -543.759 where: short stacking energy: -253.782 Base-Backbone interact. energy: -1.344 local terms energy: -278.359480 where: bonds (distance) C4'-P energy: -50.486 bonds (distance) P-C4' energy: -60.673 flat angles C4'-P-C4' energy: -67.724 flat angles P-C4'-P energy: -29.686 tors. eta vs tors. theta energy: -69.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -711.654387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.654387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.654387 (E_RNA) where: Base-Base interactions energy: -473.217 where: short stacking energy: -213.133 Base-Backbone interact. energy: -1.032 local terms energy: -237.404824 where: bonds (distance) C4'-P energy: -54.603 bonds (distance) P-C4' energy: -52.599 flat angles C4'-P-C4' energy: -50.065 flat angles P-C4'-P energy: -38.937 tors. eta vs tors. theta energy: -41.200 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: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -712.158972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.158972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.158972 (E_RNA) where: Base-Base interactions energy: -473.965 where: short stacking energy: -201.345 Base-Backbone interact. energy: -0.353 local terms energy: -237.841020 where: bonds (distance) C4'-P energy: -43.180 bonds (distance) P-C4' energy: -60.668 flat angles C4'-P-C4' energy: -59.976 flat angles P-C4'-P energy: -35.124 tors. eta vs tors. theta energy: -38.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -457.032471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.032471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.032471 (E_RNA) where: Base-Base interactions energy: -262.363 where: short stacking energy: -131.035 Base-Backbone interact. energy: -2.853 local terms energy: -191.816346 where: bonds (distance) C4'-P energy: -47.851 bonds (distance) P-C4' energy: -55.655 flat angles C4'-P-C4' energy: -56.699 flat angles P-C4'-P energy: -27.630 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -274.625326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.625326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.625326 (E_RNA) where: Base-Base interactions energy: -101.491 where: short stacking energy: -77.227 Base-Backbone interact. energy: -1.033 local terms energy: -172.101170 where: bonds (distance) C4'-P energy: -47.996 bonds (distance) P-C4' energy: -60.028 flat angles C4'-P-C4' energy: -38.101 flat angles P-C4'-P energy: -27.419 tors. eta vs tors. theta energy: 1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -268.568982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.568982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.568982 (E_RNA) where: Base-Base interactions energy: -95.384 where: short stacking energy: -73.403 Base-Backbone interact. energy: 6.168 local terms energy: -179.353683 where: bonds (distance) C4'-P energy: -62.307 bonds (distance) P-C4' energy: -49.977 flat angles C4'-P-C4' energy: -50.436 flat angles P-C4'-P energy: -26.541 tors. eta vs tors. theta energy: 9.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1092.046207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.046207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.046207 (E_RNA) where: Base-Base interactions energy: -756.939 where: short stacking energy: -319.808 Base-Backbone interact. energy: -1.751 local terms energy: -333.357033 where: bonds (distance) C4'-P energy: -65.939 bonds (distance) P-C4' energy: -61.023 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -86.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -928.987879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.987879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.987879 (E_RNA) where: Base-Base interactions energy: -612.988 where: short stacking energy: -288.747 Base-Backbone interact. energy: -0.352 local terms energy: -315.647974 where: bonds (distance) C4'-P energy: -60.448 bonds (distance) P-C4' energy: -60.239 flat angles C4'-P-C4' energy: -69.208 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -80.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -973.946016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.946016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.946016 (E_RNA) where: Base-Base interactions energy: -655.830 where: short stacking energy: -299.597 Base-Backbone interact. energy: -1.698 local terms energy: -316.418791 where: bonds (distance) C4'-P energy: -53.099 bonds (distance) P-C4' energy: -68.929 flat angles C4'-P-C4' energy: -66.415 flat angles P-C4'-P energy: -43.965 tors. eta vs tors. theta energy: -84.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -843.288201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.288201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.288201 (E_RNA) where: Base-Base interactions energy: -546.646 where: short stacking energy: -256.044 Base-Backbone interact. energy: -1.798 local terms energy: -294.844506 where: bonds (distance) C4'-P energy: -58.050 bonds (distance) P-C4' energy: -66.129 flat angles C4'-P-C4' energy: -72.474 flat angles P-C4'-P energy: -35.601 tors. eta vs tors. theta energy: -62.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -859.642076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.642076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.642076 (E_RNA) where: Base-Base interactions energy: -573.742 where: short stacking energy: -256.846 Base-Backbone interact. energy: -0.033 local terms energy: -285.868017 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -56.274 flat angles C4'-P-C4' energy: -60.815 flat angles P-C4'-P energy: -35.444 tors. eta vs tors. theta energy: -71.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -715.421055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.421055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.421055 (E_RNA) where: Base-Base interactions energy: -457.529 where: short stacking energy: -174.698 Base-Backbone interact. energy: -2.223 local terms energy: -255.669203 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -52.581 flat angles C4'-P-C4' energy: -63.011 flat angles P-C4'-P energy: -42.158 tors. eta vs tors. theta energy: -35.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -698.155308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.155308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.155308 (E_RNA) where: Base-Base interactions energy: -457.648 where: short stacking energy: -214.336 Base-Backbone interact. energy: -0.251 local terms energy: -240.256066 where: bonds (distance) C4'-P energy: -50.044 bonds (distance) P-C4' energy: -42.526 flat angles C4'-P-C4' energy: -53.434 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -52.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -440.521217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.521217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.521217 (E_RNA) where: Base-Base interactions energy: -218.809 where: short stacking energy: -146.486 Base-Backbone interact. energy: -1.695 local terms energy: -220.017367 where: bonds (distance) C4'-P energy: -45.973 bonds (distance) P-C4' energy: -48.344 flat angles C4'-P-C4' energy: -59.040 flat angles P-C4'-P energy: -36.357 tors. eta vs tors. theta energy: -30.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -320.040575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.040575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.040575 (E_RNA) where: Base-Base interactions energy: -130.198 where: short stacking energy: -90.574 Base-Backbone interact. energy: 0.793 local terms energy: -190.634886 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -58.330 flat angles C4'-P-C4' energy: -40.637 flat angles P-C4'-P energy: -27.174 tors. eta vs tors. theta energy: -6.073 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: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -292.497048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.497048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.497048 (E_RNA) where: Base-Base interactions energy: -108.001 where: short stacking energy: -86.565 Base-Backbone interact. energy: 2.451 local terms energy: -186.946877 where: bonds (distance) C4'-P energy: -53.274 bonds (distance) P-C4' energy: -50.777 flat angles C4'-P-C4' energy: -44.566 flat angles P-C4'-P energy: -33.994 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1056.081854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.081854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.081854 (E_RNA) where: Base-Base interactions energy: -730.749 where: short stacking energy: -297.424 Base-Backbone interact. energy: -1.904 local terms energy: -323.429173 where: bonds (distance) C4'-P energy: -64.131 bonds (distance) P-C4' energy: -59.356 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -90.173 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: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -950.793219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.793219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.793219 (E_RNA) where: Base-Base interactions energy: -608.992 where: short stacking energy: -285.979 Base-Backbone interact. energy: -0.664 local terms energy: -341.137696 where: bonds (distance) C4'-P energy: -64.305 bonds (distance) P-C4' energy: -67.407 flat angles C4'-P-C4' energy: -71.203 flat angles P-C4'-P energy: -56.022 tors. eta vs tors. theta energy: -82.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -991.799013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.799013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.799013 (E_RNA) where: Base-Base interactions energy: -671.788 where: short stacking energy: -311.839 Base-Backbone interact. energy: 2.765 local terms energy: -322.775886 where: bonds (distance) C4'-P energy: -57.265 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -66.931 flat angles P-C4'-P energy: -43.471 tors. eta vs tors. theta energy: -93.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -834.073563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.073563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.073563 (E_RNA) where: Base-Base interactions energy: -554.282 where: short stacking energy: -245.416 Base-Backbone interact. energy: -1.216 local terms energy: -278.575034 where: bonds (distance) C4'-P energy: -47.434 bonds (distance) P-C4' energy: -56.745 flat angles C4'-P-C4' energy: -65.313 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -64.062 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: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -834.124590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.124590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.124590 (E_RNA) where: Base-Base interactions energy: -549.317 where: short stacking energy: -243.035 Base-Backbone interact. energy: -0.412 local terms energy: -284.395266 where: bonds (distance) C4'-P energy: -56.075 bonds (distance) P-C4' energy: -63.109 flat angles C4'-P-C4' energy: -61.202 flat angles P-C4'-P energy: -40.584 tors. eta vs tors. theta energy: -63.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -751.996863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.996863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.996863 (E_RNA) where: Base-Base interactions energy: -475.415 where: short stacking energy: -217.467 Base-Backbone interact. energy: -0.432 local terms energy: -276.149446 where: bonds (distance) C4'-P energy: -51.707 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -61.722 flat angles P-C4'-P energy: -48.188 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: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -717.391528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.391528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.391528 (E_RNA) where: Base-Base interactions energy: -469.696 where: short stacking energy: -214.818 Base-Backbone interact. energy: 5.131 local terms energy: -252.826450 where: bonds (distance) C4'-P energy: -66.928 bonds (distance) P-C4' energy: -47.094 flat angles C4'-P-C4' energy: -49.768 flat angles P-C4'-P energy: -36.323 tors. eta vs tors. theta energy: -52.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -408.718909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.718909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.718909 (E_RNA) where: Base-Base interactions energy: -210.783 where: short stacking energy: -124.327 Base-Backbone interact. energy: 3.641 local terms energy: -201.576716 where: bonds (distance) C4'-P energy: -61.197 bonds (distance) P-C4' energy: -45.467 flat angles C4'-P-C4' energy: -50.435 flat angles P-C4'-P energy: -28.699 tors. eta vs tors. theta energy: -15.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -304.164088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.164088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.164088 (E_RNA) where: Base-Base interactions energy: -119.140 where: short stacking energy: -98.485 Base-Backbone interact. energy: 3.520 local terms energy: -188.544747 where: bonds (distance) C4'-P energy: -47.845 bonds (distance) P-C4' energy: -49.700 flat angles C4'-P-C4' energy: -55.989 flat angles P-C4'-P energy: -26.472 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -300.180334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.180334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.180334 (E_RNA) where: Base-Base interactions energy: -127.669 where: short stacking energy: -76.060 Base-Backbone interact. energy: 3.715 local terms energy: -176.226556 where: bonds (distance) C4'-P energy: -41.341 bonds (distance) P-C4' energy: -59.945 flat angles C4'-P-C4' energy: -48.263 flat angles P-C4'-P energy: -26.327 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1062.949654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.949654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.949654 (E_RNA) where: Base-Base interactions energy: -736.272 where: short stacking energy: -314.619 Base-Backbone interact. energy: -1.428 local terms energy: -325.250141 where: bonds (distance) C4'-P energy: -61.520 bonds (distance) P-C4' energy: -55.332 flat angles C4'-P-C4' energy: -70.788 flat angles P-C4'-P energy: -47.533 tors. eta vs tors. theta energy: -90.077 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: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1001.042011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.042011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.042011 (E_RNA) where: Base-Base interactions energy: -649.529 where: short stacking energy: -307.018 Base-Backbone interact. energy: -2.177 local terms energy: -349.336113 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -79.625 flat angles C4'-P-C4' energy: -66.082 flat angles P-C4'-P energy: -49.085 tors. eta vs tors. theta energy: -94.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -908.095557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.095557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.095557 (E_RNA) where: Base-Base interactions energy: -613.209 where: short stacking energy: -295.153 Base-Backbone interact. energy: -0.795 local terms energy: -294.091636 where: bonds (distance) C4'-P energy: -55.957 bonds (distance) P-C4' energy: -53.292 flat angles C4'-P-C4' energy: -62.958 flat angles P-C4'-P energy: -41.455 tors. eta vs tors. theta energy: -80.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -866.577387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.577387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.577387 (E_RNA) where: Base-Base interactions energy: -591.918 where: short stacking energy: -262.237 Base-Backbone interact. energy: 2.287 local terms energy: -276.945809 where: bonds (distance) C4'-P energy: -59.836 bonds (distance) P-C4' energy: -56.630 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -34.178 tors. eta vs tors. theta energy: -65.797 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: 89 Temperature: 1.100000 Total energy: -860.502996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.502996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.502996 (E_RNA) where: Base-Base interactions energy: -581.301 where: short stacking energy: -263.383 Base-Backbone interact. energy: 2.167 local terms energy: -281.369234 where: bonds (distance) C4'-P energy: -54.921 bonds (distance) P-C4' energy: -57.109 flat angles C4'-P-C4' energy: -57.465 flat angles P-C4'-P energy: -33.714 tors. eta vs tors. theta energy: -78.160 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: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -747.602597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.602597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.602597 (E_RNA) where: Base-Base interactions energy: -477.524 where: short stacking energy: -222.059 Base-Backbone interact. energy: -1.018 local terms energy: -269.061051 where: bonds (distance) C4'-P energy: -47.113 bonds (distance) P-C4' energy: -55.447 flat angles C4'-P-C4' energy: -63.930 flat angles P-C4'-P energy: -39.217 tors. eta vs tors. theta energy: -63.354 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: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -749.744139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.744139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.744139 (E_RNA) where: Base-Base interactions energy: -492.612 where: short stacking energy: -235.232 Base-Backbone interact. energy: 0.252 local terms energy: -257.383698 where: bonds (distance) C4'-P energy: -44.563 bonds (distance) P-C4' energy: -38.730 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -41.466 tors. eta vs tors. theta energy: -64.113 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: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -429.723390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.723390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.723390 (E_RNA) where: Base-Base interactions energy: -232.807 where: short stacking energy: -134.885 Base-Backbone interact. energy: -1.130 local terms energy: -195.786048 where: bonds (distance) C4'-P energy: -47.587 bonds (distance) P-C4' energy: -41.341 flat angles C4'-P-C4' energy: -53.594 flat angles P-C4'-P energy: -28.319 tors. eta vs tors. theta energy: -24.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -284.202297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.202297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.202297 (E_RNA) where: Base-Base interactions energy: -100.606 where: short stacking energy: -85.142 Base-Backbone interact. energy: -1.012 local terms energy: -182.584455 where: bonds (distance) C4'-P energy: -51.274 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -50.296 flat angles P-C4'-P energy: -30.580 tors. eta vs tors. theta energy: 12.517 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: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -302.471738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.471738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.471738 (E_RNA) where: Base-Base interactions energy: -112.728 where: short stacking energy: -89.876 Base-Backbone interact. energy: -1.300 local terms energy: -188.444051 where: bonds (distance) C4'-P energy: -44.534 bonds (distance) P-C4' energy: -62.816 flat angles C4'-P-C4' energy: -55.013 flat angles P-C4'-P energy: -25.010 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1075.797744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.797744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.797744 (E_RNA) where: Base-Base interactions energy: -752.038 where: short stacking energy: -304.471 Base-Backbone interact. energy: -0.194 local terms energy: -323.566103 where: bonds (distance) C4'-P energy: -67.938 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -70.049 flat angles P-C4'-P energy: -47.960 tors. eta vs tors. theta energy: -74.801 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: 90 Temperature: 0.950000 Total energy: -987.721506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.721506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.721506 (E_RNA) where: Base-Base interactions energy: -637.590 where: short stacking energy: -309.742 Base-Backbone interact. energy: -2.597 local terms energy: -347.533810 where: bonds (distance) C4'-P energy: -70.062 bonds (distance) P-C4' energy: -65.053 flat angles C4'-P-C4' energy: -67.261 flat angles P-C4'-P energy: -48.789 tors. eta vs tors. theta energy: -96.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -892.233250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.233250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.233250 (E_RNA) where: Base-Base interactions energy: -589.967 where: short stacking energy: -275.596 Base-Backbone interact. energy: -1.930 local terms energy: -300.335663 where: bonds (distance) C4'-P energy: -61.475 bonds (distance) P-C4' energy: -60.297 flat angles C4'-P-C4' energy: -64.355 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: -74.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -861.842029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.842029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.842029 (E_RNA) where: Base-Base interactions energy: -585.216 where: short stacking energy: -251.085 Base-Backbone interact. energy: -0.098 local terms energy: -276.528506 where: bonds (distance) C4'-P energy: -61.326 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -58.897 flat angles P-C4'-P energy: -28.858 tors. eta vs tors. theta energy: -62.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -833.879532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.879532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.879532 (E_RNA) where: Base-Base interactions energy: -540.888 where: short stacking energy: -252.134 Base-Backbone interact. energy: -1.292 local terms energy: -291.700457 where: bonds (distance) C4'-P energy: -52.565 bonds (distance) P-C4' energy: -65.980 flat angles C4'-P-C4' energy: -61.496 flat angles P-C4'-P energy: -42.695 tors. eta vs tors. theta energy: -68.965 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: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -749.041393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.041393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.041393 (E_RNA) where: Base-Base interactions energy: -478.757 where: short stacking energy: -208.083 Base-Backbone interact. energy: 0.734 local terms energy: -271.018468 where: bonds (distance) C4'-P energy: -45.961 bonds (distance) P-C4' energy: -61.617 flat angles C4'-P-C4' energy: -62.261 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -54.949 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: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -758.422686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.422686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.422686 (E_RNA) where: Base-Base interactions energy: -498.129 where: short stacking energy: -215.602 Base-Backbone interact. energy: -1.626 local terms energy: -258.666895 where: bonds (distance) C4'-P energy: -59.098 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -58.034 flat angles P-C4'-P energy: -26.526 tors. eta vs tors. theta energy: -56.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -426.943431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.943431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.943431 (E_RNA) where: Base-Base interactions energy: -212.926 where: short stacking energy: -135.897 Base-Backbone interact. energy: -0.919 local terms energy: -213.098539 where: bonds (distance) C4'-P energy: -50.881 bonds (distance) P-C4' energy: -60.646 flat angles C4'-P-C4' energy: -53.959 flat angles P-C4'-P energy: -30.152 tors. eta vs tors. theta energy: -17.460 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: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -306.411835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.411835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.411835 (E_RNA) where: Base-Base interactions energy: -112.647 where: short stacking energy: -96.214 Base-Backbone interact. energy: -0.726 local terms energy: -193.038795 where: bonds (distance) C4'-P energy: -55.447 bonds (distance) P-C4' energy: -62.850 flat angles C4'-P-C4' energy: -50.412 flat angles P-C4'-P energy: -19.389 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -323.645192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.645192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.645192 (E_RNA) where: Base-Base interactions energy: -144.650 where: short stacking energy: -110.617 Base-Backbone interact. energy: 3.001 local terms energy: -181.996841 where: bonds (distance) C4'-P energy: -46.895 bonds (distance) P-C4' energy: -48.217 flat angles C4'-P-C4' energy: -56.146 flat angles P-C4'-P energy: -24.079 tors. eta vs tors. theta energy: -6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1052.624948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.624948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.624948 (E_RNA) where: Base-Base interactions energy: -715.362 where: short stacking energy: -300.944 Base-Backbone interact. energy: 0.961 local terms energy: -338.223245 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -63.432 flat angles C4'-P-C4' energy: -77.979 flat angles P-C4'-P energy: -52.273 tors. eta vs tors. theta energy: -79.820 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: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -978.719566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.719566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.719566 (E_RNA) where: Base-Base interactions energy: -647.965 where: short stacking energy: -309.549 Base-Backbone interact. energy: -1.089 local terms energy: -329.665719 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -58.608 flat angles C4'-P-C4' energy: -70.691 flat angles P-C4'-P energy: -48.436 tors. eta vs tors. theta energy: -86.947 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: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -943.730765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.730765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.730765 (E_RNA) where: Base-Base interactions energy: -611.720 where: short stacking energy: -249.755 Base-Backbone interact. energy: -2.756 local terms energy: -329.255106 where: bonds (distance) C4'-P energy: -66.910 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -63.729 flat angles P-C4'-P energy: -49.405 tors. eta vs tors. theta energy: -80.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -841.697291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.697291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.697291 (E_RNA) where: Base-Base interactions energy: -572.609 where: short stacking energy: -250.990 Base-Backbone interact. energy: -0.223 local terms energy: -268.866037 where: bonds (distance) C4'-P energy: -55.918 bonds (distance) P-C4' energy: -55.780 flat angles C4'-P-C4' energy: -58.829 flat angles P-C4'-P energy: -35.386 tors. eta vs tors. theta energy: -62.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -833.276966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.276966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.276966 (E_RNA) where: Base-Base interactions energy: -558.568 where: short stacking energy: -239.366 Base-Backbone interact. energy: -1.650 local terms energy: -273.059220 where: bonds (distance) C4'-P energy: -52.086 bonds (distance) P-C4' energy: -59.187 flat angles C4'-P-C4' energy: -62.433 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: -56.559 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: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -790.495665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.495665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.495665 (E_RNA) where: Base-Base interactions energy: -523.463 where: short stacking energy: -253.455 Base-Backbone interact. energy: 1.318 local terms energy: -268.351145 where: bonds (distance) C4'-P energy: -49.625 bonds (distance) P-C4' energy: -52.355 flat angles C4'-P-C4' energy: -58.188 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -62.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -725.363680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.363680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.363680 (E_RNA) where: Base-Base interactions energy: -464.447 where: short stacking energy: -204.860 Base-Backbone interact. energy: -1.970 local terms energy: -258.947641 where: bonds (distance) C4'-P energy: -63.134 bonds (distance) P-C4' energy: -52.003 flat angles C4'-P-C4' energy: -60.825 flat angles P-C4'-P energy: -39.219 tors. eta vs tors. theta energy: -43.767 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: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -452.043528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.043528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.043528 (E_RNA) where: Base-Base interactions energy: -241.428 where: short stacking energy: -145.636 Base-Backbone interact. energy: -1.816 local terms energy: -208.799715 where: bonds (distance) C4'-P energy: -49.159 bonds (distance) P-C4' energy: -59.918 flat angles C4'-P-C4' energy: -52.470 flat angles P-C4'-P energy: -33.678 tors. eta vs tors. theta energy: -13.575 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: 8 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -288.794346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.794346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.794346 (E_RNA) where: Base-Base interactions energy: -120.603 where: short stacking energy: -77.199 Base-Backbone interact. energy: -1.611 local terms energy: -166.580163 where: bonds (distance) C4'-P energy: -47.015 bonds (distance) P-C4' energy: -62.023 flat angles C4'-P-C4' energy: -48.554 flat angles P-C4'-P energy: -15.573 tors. eta vs tors. theta energy: 6.584 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: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -292.932476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.932476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.932476 (E_RNA) where: Base-Base interactions energy: -106.882 where: short stacking energy: -71.022 Base-Backbone interact. energy: -0.040 local terms energy: -186.010307 where: bonds (distance) C4'-P energy: -58.550 bonds (distance) P-C4' energy: -59.471 flat angles C4'-P-C4' energy: -35.587 flat angles P-C4'-P energy: -37.774 tors. eta vs tors. theta energy: 5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1056.297944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.297944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.297944 (E_RNA) where: Base-Base interactions energy: -729.982 where: short stacking energy: -315.100 Base-Backbone interact. energy: -0.609 local terms energy: -325.706263 where: bonds (distance) C4'-P energy: -60.370 bonds (distance) P-C4' energy: -69.877 flat angles C4'-P-C4' energy: -68.536 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -84.957 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: 92 Temperature: 0.950000 Total energy: -1013.808662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.808662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.808662 (E_RNA) where: Base-Base interactions energy: -666.375 where: short stacking energy: -300.293 Base-Backbone interact. energy: -1.076 local terms energy: -346.356940 where: bonds (distance) C4'-P energy: -64.519 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -70.546 flat angles P-C4'-P energy: -49.415 tors. eta vs tors. theta energy: -94.240 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: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -953.084651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.084651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.084651 (E_RNA) where: Base-Base interactions energy: -633.408 where: short stacking energy: -283.892 Base-Backbone interact. energy: -2.734 local terms energy: -316.943202 where: bonds (distance) C4'-P energy: -63.755 bonds (distance) P-C4' energy: -68.490 flat angles C4'-P-C4' energy: -66.210 flat angles P-C4'-P energy: -45.725 tors. eta vs tors. theta energy: -72.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -837.445508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.445508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.445508 (E_RNA) where: Base-Base interactions energy: -543.207 where: short stacking energy: -252.646 Base-Backbone interact. energy: -2.838 local terms energy: -291.401005 where: bonds (distance) C4'-P energy: -55.164 bonds (distance) P-C4' energy: -56.108 flat angles C4'-P-C4' energy: -73.182 flat angles P-C4'-P energy: -44.572 tors. eta vs tors. theta energy: -62.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -843.519241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.519241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.519241 (E_RNA) where: Base-Base interactions energy: -546.989 where: short stacking energy: -236.419 Base-Backbone interact. energy: -2.123 local terms energy: -294.407491 where: bonds (distance) C4'-P energy: -58.802 bonds (distance) P-C4' energy: -62.215 flat angles C4'-P-C4' energy: -69.610 flat angles P-C4'-P energy: -43.194 tors. eta vs tors. theta energy: -60.586 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: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -740.221063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.221063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.221063 (E_RNA) where: Base-Base interactions energy: -487.142 where: short stacking energy: -215.335 Base-Backbone interact. energy: -0.391 local terms energy: -252.688047 where: bonds (distance) C4'-P energy: -52.687 bonds (distance) P-C4' energy: -58.400 flat angles C4'-P-C4' energy: -59.381 flat angles P-C4'-P energy: -38.016 tors. eta vs tors. theta energy: -44.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -719.828877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.828877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.828877 (E_RNA) where: Base-Base interactions energy: -462.961 where: short stacking energy: -204.651 Base-Backbone interact. energy: 0.679 local terms energy: -257.546762 where: bonds (distance) C4'-P energy: -46.280 bonds (distance) P-C4' energy: -66.466 flat angles C4'-P-C4' energy: -52.284 flat angles P-C4'-P energy: -42.376 tors. eta vs tors. theta energy: -50.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -488.155768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.155768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.155768 (E_RNA) where: Base-Base interactions energy: -261.225 where: short stacking energy: -143.488 Base-Backbone interact. energy: -0.924 local terms energy: -226.006046 where: bonds (distance) C4'-P energy: -49.532 bonds (distance) P-C4' energy: -64.765 flat angles C4'-P-C4' energy: -43.471 flat angles P-C4'-P energy: -39.405 tors. eta vs tors. theta energy: -28.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -328.899791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.899791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.899791 (E_RNA) where: Base-Base interactions energy: -159.761 where: short stacking energy: -108.201 Base-Backbone interact. energy: 0.252 local terms energy: -169.390042 where: bonds (distance) C4'-P energy: -58.063 bonds (distance) P-C4' energy: -49.222 flat angles C4'-P-C4' energy: -48.073 flat angles P-C4'-P energy: -21.548 tors. eta vs tors. theta energy: 7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -272.421288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.421288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.421288 (E_RNA) where: Base-Base interactions energy: -89.759 where: short stacking energy: -69.975 Base-Backbone interact. energy: 3.197 local terms energy: -185.859902 where: bonds (distance) C4'-P energy: -46.880 bonds (distance) P-C4' energy: -62.417 flat angles C4'-P-C4' energy: -39.997 flat angles P-C4'-P energy: -37.999 tors. eta vs tors. theta energy: 1.433 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: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1061.342161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.342161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.342161 (E_RNA) where: Base-Base interactions energy: -723.465 where: short stacking energy: -302.018 Base-Backbone interact. energy: -0.118 local terms energy: -337.758931 where: bonds (distance) C4'-P energy: -68.685 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -70.705 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -84.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -990.702286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.702286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.702286 (E_RNA) where: Base-Base interactions energy: -665.938 where: short stacking energy: -296.357 Base-Backbone interact. energy: -1.221 local terms energy: -323.542852 where: bonds (distance) C4'-P energy: -63.001 bonds (distance) P-C4' energy: -66.941 flat angles C4'-P-C4' energy: -59.765 flat angles P-C4'-P energy: -42.498 tors. eta vs tors. theta energy: -91.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -928.884904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.884904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.884904 (E_RNA) where: Base-Base interactions energy: -633.073 where: short stacking energy: -279.473 Base-Backbone interact. energy: 0.709 local terms energy: -296.521717 where: bonds (distance) C4'-P energy: -60.972 bonds (distance) P-C4' energy: -61.874 flat angles C4'-P-C4' energy: -65.228 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -64.360 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: 5 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -825.471354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.471354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.471354 (E_RNA) where: Base-Base interactions energy: -533.444 where: short stacking energy: -245.390 Base-Backbone interact. energy: -2.565 local terms energy: -289.462518 where: bonds (distance) C4'-P energy: -58.295 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -58.758 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -66.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -826.266410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.266410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.266410 (E_RNA) where: Base-Base interactions energy: -539.480 where: short stacking energy: -247.821 Base-Backbone interact. energy: 1.250 local terms energy: -288.036672 where: bonds (distance) C4'-P energy: -55.261 bonds (distance) P-C4' energy: -57.706 flat angles C4'-P-C4' energy: -55.518 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: -74.907 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: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -752.362064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.362064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.362064 (E_RNA) where: Base-Base interactions energy: -506.717 where: short stacking energy: -221.089 Base-Backbone interact. energy: 0.847 local terms energy: -246.492394 where: bonds (distance) C4'-P energy: -52.321 bonds (distance) P-C4' energy: -47.355 flat angles C4'-P-C4' energy: -54.787 flat angles P-C4'-P energy: -27.443 tors. eta vs tors. theta energy: -64.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -669.771286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.771286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.771286 (E_RNA) where: Base-Base interactions energy: -445.058 where: short stacking energy: -200.070 Base-Backbone interact. energy: -1.099 local terms energy: -223.614317 where: bonds (distance) C4'-P energy: -38.203 bonds (distance) P-C4' energy: -47.665 flat angles C4'-P-C4' energy: -56.029 flat angles P-C4'-P energy: -38.067 tors. eta vs tors. theta energy: -43.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -458.286681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.286681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.286681 (E_RNA) where: Base-Base interactions energy: -237.081 where: short stacking energy: -120.878 Base-Backbone interact. energy: 1.412 local terms energy: -222.617135 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -68.238 flat angles C4'-P-C4' energy: -56.963 flat angles P-C4'-P energy: -26.535 tors. eta vs tors. theta energy: -14.282 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: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -358.163841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.163841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.163841 (E_RNA) where: Base-Base interactions energy: -169.487 where: short stacking energy: -107.145 Base-Backbone interact. energy: -1.528 local terms energy: -187.148896 where: bonds (distance) C4'-P energy: -48.377 bonds (distance) P-C4' energy: -59.244 flat angles C4'-P-C4' energy: -43.047 flat angles P-C4'-P energy: -17.265 tors. eta vs tors. theta energy: -19.215 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: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -248.460514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.460514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.460514 (E_RNA) where: Base-Base interactions energy: -83.146 where: short stacking energy: -64.720 Base-Backbone interact. energy: 0.378 local terms energy: -165.692339 where: bonds (distance) C4'-P energy: -52.232 bonds (distance) P-C4' energy: -65.601 flat angles C4'-P-C4' energy: -34.638 flat angles P-C4'-P energy: -27.417 tors. eta vs tors. theta energy: 14.196 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: 1, replica: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1052.445673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.445673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.445673 (E_RNA) where: Base-Base interactions energy: -695.459 where: short stacking energy: -296.914 Base-Backbone interact. energy: -1.799 local terms energy: -355.187097 where: bonds (distance) C4'-P energy: -73.554 bonds (distance) P-C4' energy: -67.522 flat angles C4'-P-C4' energy: -72.750 flat angles P-C4'-P energy: -52.239 tors. eta vs tors. theta energy: -89.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1003.519458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.519458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.519458 (E_RNA) where: Base-Base interactions energy: -671.139 where: short stacking energy: -291.888 Base-Backbone interact. energy: 1.148 local terms energy: -333.528367 where: bonds (distance) C4'-P energy: -58.497 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -70.520 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -94.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -921.489924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.489924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.489924 (E_RNA) where: Base-Base interactions energy: -615.618 where: short stacking energy: -261.052 Base-Backbone interact. energy: -0.935 local terms energy: -304.937099 where: bonds (distance) C4'-P energy: -61.389 bonds (distance) P-C4' energy: -63.141 flat angles C4'-P-C4' energy: -67.666 flat angles P-C4'-P energy: -38.992 tors. eta vs tors. theta energy: -73.750 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: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -846.224002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.224002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.224002 (E_RNA) where: Base-Base interactions energy: -551.608 where: short stacking energy: -251.335 Base-Backbone interact. energy: -2.594 local terms energy: -292.021951 where: bonds (distance) C4'-P energy: -59.291 bonds (distance) P-C4' energy: -52.489 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -51.604 tors. eta vs tors. theta energy: -63.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -874.600885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.600885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.600885 (E_RNA) where: Base-Base interactions energy: -580.912 where: short stacking energy: -249.020 Base-Backbone interact. energy: 0.144 local terms energy: -293.832783 where: bonds (distance) C4'-P energy: -54.206 bonds (distance) P-C4' energy: -53.242 flat angles C4'-P-C4' energy: -66.286 flat angles P-C4'-P energy: -46.504 tors. eta vs tors. theta energy: -73.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -780.530651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.530651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.530651 (E_RNA) where: Base-Base interactions energy: -502.429 where: short stacking energy: -235.962 Base-Backbone interact. energy: -2.575 local terms energy: -275.526678 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -55.950 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: -60.186 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: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -636.639359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.639359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.639359 (E_RNA) where: Base-Base interactions energy: -370.034 where: short stacking energy: -170.761 Base-Backbone interact. energy: -1.562 local terms energy: -265.043447 where: bonds (distance) C4'-P energy: -63.956 bonds (distance) P-C4' energy: -53.000 flat angles C4'-P-C4' energy: -56.469 flat angles P-C4'-P energy: -43.754 tors. eta vs tors. theta energy: -47.864 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: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -477.455314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.455314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.455314 (E_RNA) where: Base-Base interactions energy: -277.981 where: short stacking energy: -153.592 Base-Backbone interact. energy: -0.824 local terms energy: -198.650462 where: bonds (distance) C4'-P energy: -46.294 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -52.827 flat angles P-C4'-P energy: -25.362 tors. eta vs tors. theta energy: -15.194 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: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -355.912205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.912205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.912205 (E_RNA) where: Base-Base interactions energy: -153.122 where: short stacking energy: -93.321 Base-Backbone interact. energy: 0.608 local terms energy: -203.397923 where: bonds (distance) C4'-P energy: -63.514 bonds (distance) P-C4' energy: -49.175 flat angles C4'-P-C4' energy: -54.444 flat angles P-C4'-P energy: -28.369 tors. eta vs tors. theta energy: -7.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -268.130636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.130636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.130636 (E_RNA) where: Base-Base interactions energy: -98.432 where: short stacking energy: -75.537 Base-Backbone interact. energy: 1.745 local terms energy: -171.443717 where: bonds (distance) C4'-P energy: -43.414 bonds (distance) P-C4' energy: -59.484 flat angles C4'-P-C4' energy: -55.405 flat angles P-C4'-P energy: -19.349 tors. eta vs tors. theta energy: 6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1055.262158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.262158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.262158 (E_RNA) where: Base-Base interactions energy: -701.057 where: short stacking energy: -299.739 Base-Backbone interact. energy: -0.719 local terms energy: -353.486063 where: bonds (distance) C4'-P energy: -66.197 bonds (distance) P-C4' energy: -70.084 flat angles C4'-P-C4' energy: -75.564 flat angles P-C4'-P energy: -49.340 tors. eta vs tors. theta energy: -92.300 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: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1007.359961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.359961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.359961 (E_RNA) where: Base-Base interactions energy: -668.269 where: short stacking energy: -302.769 Base-Backbone interact. energy: 0.354 local terms energy: -339.444637 where: bonds (distance) C4'-P energy: -58.989 bonds (distance) P-C4' energy: -69.248 flat angles C4'-P-C4' energy: -73.743 flat angles P-C4'-P energy: -48.064 tors. eta vs tors. theta energy: -89.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -932.911606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.911606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.911606 (E_RNA) where: Base-Base interactions energy: -608.885 where: short stacking energy: -284.950 Base-Backbone interact. energy: -2.063 local terms energy: -321.963527 where: bonds (distance) C4'-P energy: -59.589 bonds (distance) P-C4' energy: -61.490 flat angles C4'-P-C4' energy: -72.918 flat angles P-C4'-P energy: -44.876 tors. eta vs tors. theta energy: -83.090 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: 95 Temperature: 1.050000 Total energy: -912.092515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.092515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.092515 (E_RNA) where: Base-Base interactions energy: -612.802 where: short stacking energy: -273.332 Base-Backbone interact. energy: -0.625 local terms energy: -298.664818 where: bonds (distance) C4'-P energy: -60.202 bonds (distance) P-C4' energy: -59.321 flat angles C4'-P-C4' energy: -55.305 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: -78.924 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: 95 Temperature: 1.100000 Total energy: -812.972795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.972795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.972795 (E_RNA) where: Base-Base interactions energy: -524.594 where: short stacking energy: -237.457 Base-Backbone interact. energy: -1.182 local terms energy: -287.197523 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -66.403 flat angles C4'-P-C4' energy: -64.641 flat angles P-C4'-P energy: -34.524 tors. eta vs tors. theta energy: -63.828 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: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -759.381598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.381598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.381598 (E_RNA) where: Base-Base interactions energy: -501.696 where: short stacking energy: -215.963 Base-Backbone interact. energy: -0.702 local terms energy: -256.983702 where: bonds (distance) C4'-P energy: -45.814 bonds (distance) P-C4' energy: -54.840 flat angles C4'-P-C4' energy: -59.619 flat angles P-C4'-P energy: -48.088 tors. eta vs tors. theta energy: -48.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -656.379405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.379405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.379405 (E_RNA) where: Base-Base interactions energy: -409.928 where: short stacking energy: -186.199 Base-Backbone interact. energy: 1.139 local terms energy: -247.590363 where: bonds (distance) C4'-P energy: -37.252 bonds (distance) P-C4' energy: -58.289 flat angles C4'-P-C4' energy: -62.614 flat angles P-C4'-P energy: -38.959 tors. eta vs tors. theta energy: -50.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -486.412436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.412436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.412436 (E_RNA) where: Base-Base interactions energy: -291.999 where: short stacking energy: -123.296 Base-Backbone interact. energy: -3.359 local terms energy: -191.054801 where: bonds (distance) C4'-P energy: -53.296 bonds (distance) P-C4' energy: -54.819 flat angles C4'-P-C4' energy: -54.487 flat angles P-C4'-P energy: -22.419 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -339.232994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.232994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.232994 (E_RNA) where: Base-Base interactions energy: -154.776 where: short stacking energy: -110.255 Base-Backbone interact. energy: 4.039 local terms energy: -188.495735 where: bonds (distance) C4'-P energy: -64.579 bonds (distance) P-C4' energy: -51.045 flat angles C4'-P-C4' energy: -53.016 flat angles P-C4'-P energy: -15.134 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -352.200580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.200580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.200580 (E_RNA) where: Base-Base interactions energy: -154.580 where: short stacking energy: -90.766 Base-Backbone interact. energy: -0.237 local terms energy: -197.383706 where: bonds (distance) C4'-P energy: -60.757 bonds (distance) P-C4' energy: -55.992 flat angles C4'-P-C4' energy: -55.966 flat angles P-C4'-P energy: -23.627 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1092.105015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.105015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.105015 (E_RNA) where: Base-Base interactions energy: -743.261 where: short stacking energy: -318.521 Base-Backbone interact. energy: -0.161 local terms energy: -348.682852 where: bonds (distance) C4'-P energy: -67.530 bonds (distance) P-C4' energy: -71.638 flat angles C4'-P-C4' energy: -74.484 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -83.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1017.614813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.614813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.614813 (E_RNA) where: Base-Base interactions energy: -684.057 where: short stacking energy: -331.079 Base-Backbone interact. energy: -1.626 local terms energy: -331.931745 where: bonds (distance) C4'-P energy: -53.222 bonds (distance) P-C4' energy: -59.457 flat angles C4'-P-C4' energy: -69.300 flat angles P-C4'-P energy: -51.891 tors. eta vs tors. theta energy: -98.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -940.842088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.842088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.842088 (E_RNA) where: Base-Base interactions energy: -618.025 where: short stacking energy: -273.803 Base-Backbone interact. energy: -0.192 local terms energy: -322.625076 where: bonds (distance) C4'-P energy: -61.528 bonds (distance) P-C4' energy: -60.849 flat angles C4'-P-C4' energy: -66.883 flat angles P-C4'-P energy: -48.610 tors. eta vs tors. theta energy: -84.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -880.510717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.510717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.510717 (E_RNA) where: Base-Base interactions energy: -589.615 where: short stacking energy: -258.192 Base-Backbone interact. energy: -0.376 local terms energy: -290.519205 where: bonds (distance) C4'-P energy: -61.804 bonds (distance) P-C4' energy: -58.568 flat angles C4'-P-C4' energy: -69.903 flat angles P-C4'-P energy: -33.716 tors. eta vs tors. theta energy: -66.528 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: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -788.934416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.934416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.934416 (E_RNA) where: Base-Base interactions energy: -533.112 where: short stacking energy: -239.185 Base-Backbone interact. energy: -0.967 local terms energy: -254.855544 where: bonds (distance) C4'-P energy: -68.074 bonds (distance) P-C4' energy: -47.402 flat angles C4'-P-C4' energy: -58.442 flat angles P-C4'-P energy: -29.698 tors. eta vs tors. theta energy: -51.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -775.073538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.073538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.073538 (E_RNA) where: Base-Base interactions energy: -512.066 where: short stacking energy: -243.190 Base-Backbone interact. energy: 0.970 local terms energy: -263.977093 where: bonds (distance) C4'-P energy: -56.706 bonds (distance) P-C4' energy: -50.278 flat angles C4'-P-C4' energy: -62.196 flat angles P-C4'-P energy: -34.723 tors. eta vs tors. theta energy: -60.074 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: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -650.766047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.766047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.766047 (E_RNA) where: Base-Base interactions energy: -391.465 where: short stacking energy: -179.213 Base-Backbone interact. energy: 0.276 local terms energy: -259.576230 where: bonds (distance) C4'-P energy: -62.642 bonds (distance) P-C4' energy: -62.374 flat angles C4'-P-C4' energy: -63.302 flat angles P-C4'-P energy: -26.628 tors. eta vs tors. theta energy: -44.631 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: 96 Temperature: 1.250000 Total energy: -484.573541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.573541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.573541 (E_RNA) where: Base-Base interactions energy: -275.117 where: short stacking energy: -137.508 Base-Backbone interact. energy: -1.855 local terms energy: -207.601585 where: bonds (distance) C4'-P energy: -48.391 bonds (distance) P-C4' energy: -60.772 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -31.004 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -339.775387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.775387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.775387 (E_RNA) where: Base-Base interactions energy: -165.176 where: short stacking energy: -107.210 Base-Backbone interact. energy: 0.151 local terms energy: -174.750488 where: bonds (distance) C4'-P energy: -48.791 bonds (distance) P-C4' energy: -37.065 flat angles C4'-P-C4' energy: -47.186 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: -6.513 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: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -270.815468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.815468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.815468 (E_RNA) where: Base-Base interactions energy: -107.443 where: short stacking energy: -67.575 Base-Backbone interact. energy: -0.499 local terms energy: -162.873636 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -52.179 flat angles C4'-P-C4' energy: -44.102 flat angles P-C4'-P energy: -25.586 tors. eta vs tors. theta energy: 11.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1082.161241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.161241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.161241 (E_RNA) where: Base-Base interactions energy: -748.739 where: short stacking energy: -309.834 Base-Backbone interact. energy: -0.735 local terms energy: -332.686744 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -65.353 flat angles C4'-P-C4' energy: -71.127 flat angles P-C4'-P energy: -52.103 tors. eta vs tors. theta energy: -84.604 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: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1013.985851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.985851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.985851 (E_RNA) where: Base-Base interactions energy: -675.496 where: short stacking energy: -306.868 Base-Backbone interact. energy: -1.500 local terms energy: -336.989698 where: bonds (distance) C4'-P energy: -61.378 bonds (distance) P-C4' energy: -70.279 flat angles C4'-P-C4' energy: -74.894 flat angles P-C4'-P energy: -38.808 tors. eta vs tors. theta energy: -91.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -956.002672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.002672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.002672 (E_RNA) where: Base-Base interactions energy: -642.378 where: short stacking energy: -280.732 Base-Backbone interact. energy: -0.387 local terms energy: -313.238040 where: bonds (distance) C4'-P energy: -59.839 bonds (distance) P-C4' energy: -61.274 flat angles C4'-P-C4' energy: -63.884 flat angles P-C4'-P energy: -49.917 tors. eta vs tors. theta energy: -78.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -859.341282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.341282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.341282 (E_RNA) where: Base-Base interactions energy: -557.272 where: short stacking energy: -219.845 Base-Backbone interact. energy: -3.111 local terms energy: -298.958027 where: bonds (distance) C4'-P energy: -66.054 bonds (distance) P-C4' energy: -64.805 flat angles C4'-P-C4' energy: -66.881 flat angles P-C4'-P energy: -39.475 tors. eta vs tors. theta energy: -61.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -748.095423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.095423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.095423 (E_RNA) where: Base-Base interactions energy: -489.845 where: short stacking energy: -227.255 Base-Backbone interact. energy: 1.479 local terms energy: -259.729938 where: bonds (distance) C4'-P energy: -50.241 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -42.312 tors. eta vs tors. theta energy: -45.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -759.757270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.757270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.757270 (E_RNA) where: Base-Base interactions energy: -490.606 where: short stacking energy: -205.119 Base-Backbone interact. energy: -0.963 local terms energy: -268.188244 where: bonds (distance) C4'-P energy: -49.446 bonds (distance) P-C4' energy: -63.906 flat angles C4'-P-C4' energy: -64.689 flat angles P-C4'-P energy: -42.516 tors. eta vs tors. theta energy: -47.630 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: 97 Temperature: 1.200000 Total energy: -677.917761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.917761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.917761 (E_RNA) where: Base-Base interactions energy: -436.677 where: short stacking energy: -202.579 Base-Backbone interact. energy: 1.103 local terms energy: -242.343703 where: bonds (distance) C4'-P energy: -48.425 bonds (distance) P-C4' energy: -53.804 flat angles C4'-P-C4' energy: -58.129 flat angles P-C4'-P energy: -33.388 tors. eta vs tors. theta energy: -48.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -462.803592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.803592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.803592 (E_RNA) where: Base-Base interactions energy: -268.739 where: short stacking energy: -147.672 Base-Backbone interact. energy: -1.728 local terms energy: -192.336303 where: bonds (distance) C4'-P energy: -52.715 bonds (distance) P-C4' energy: -51.965 flat angles C4'-P-C4' energy: -52.709 flat angles P-C4'-P energy: -17.523 tors. eta vs tors. theta energy: -17.424 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: 8 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -295.559989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.559989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.559989 (E_RNA) where: Base-Base interactions energy: -114.137 where: short stacking energy: -103.760 Base-Backbone interact. energy: -1.693 local terms energy: -179.729430 where: bonds (distance) C4'-P energy: -53.770 bonds (distance) P-C4' energy: -50.258 flat angles C4'-P-C4' energy: -41.362 flat angles P-C4'-P energy: -35.005 tors. eta vs tors. theta energy: 0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -291.932542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.932542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.932542 (E_RNA) where: Base-Base interactions energy: -99.452 where: short stacking energy: -93.547 Base-Backbone interact. energy: 4.299 local terms energy: -196.779352 where: bonds (distance) C4'-P energy: -55.311 bonds (distance) P-C4' energy: -53.706 flat angles C4'-P-C4' energy: -56.787 flat angles P-C4'-P energy: -28.347 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1076.734855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.734855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.734855 (E_RNA) where: Base-Base interactions energy: -749.354 where: short stacking energy: -307.872 Base-Backbone interact. energy: -3.640 local terms energy: -323.740836 where: bonds (distance) C4'-P energy: -61.482 bonds (distance) P-C4' energy: -59.760 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -88.887 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: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -964.719297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.719297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.719297 (E_RNA) where: Base-Base interactions energy: -633.952 where: short stacking energy: -278.070 Base-Backbone interact. energy: -3.432 local terms energy: -327.335470 where: bonds (distance) C4'-P energy: -61.933 bonds (distance) P-C4' energy: -70.139 flat angles C4'-P-C4' energy: -72.116 flat angles P-C4'-P energy: -46.781 tors. eta vs tors. theta energy: -76.367 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: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -962.436776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.436776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.436776 (E_RNA) where: Base-Base interactions energy: -644.472 where: short stacking energy: -294.196 Base-Backbone interact. energy: -1.510 local terms energy: -316.455663 where: bonds (distance) C4'-P energy: -58.936 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -69.611 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: -82.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -856.809309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.809309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.809309 (E_RNA) where: Base-Base interactions energy: -561.492 where: short stacking energy: -254.423 Base-Backbone interact. energy: -2.153 local terms energy: -293.164123 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -60.646 flat angles C4'-P-C4' energy: -69.025 flat angles P-C4'-P energy: -41.194 tors. eta vs tors. theta energy: -69.613 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: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -825.287507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.287507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.287507 (E_RNA) where: Base-Base interactions energy: -530.983 where: short stacking energy: -245.239 Base-Backbone interact. energy: -2.074 local terms energy: -292.229864 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -56.483 flat angles C4'-P-C4' energy: -67.463 flat angles P-C4'-P energy: -41.336 tors. eta vs tors. theta energy: -65.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -822.559207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.559207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.559207 (E_RNA) where: Base-Base interactions energy: -535.716 where: short stacking energy: -230.198 Base-Backbone interact. energy: 1.046 local terms energy: -287.889111 where: bonds (distance) C4'-P energy: -63.323 bonds (distance) P-C4' energy: -70.439 flat angles C4'-P-C4' energy: -66.055 flat angles P-C4'-P energy: -29.538 tors. eta vs tors. theta energy: -58.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -695.680376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.680376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.680376 (E_RNA) where: Base-Base interactions energy: -443.802 where: short stacking energy: -202.316 Base-Backbone interact. energy: -2.562 local terms energy: -249.316446 where: bonds (distance) C4'-P energy: -47.098 bonds (distance) P-C4' energy: -61.147 flat angles C4'-P-C4' energy: -52.993 flat angles P-C4'-P energy: -39.468 tors. eta vs tors. theta energy: -48.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -450.522947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.522947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.522947 (E_RNA) where: Base-Base interactions energy: -240.785 where: short stacking energy: -122.882 Base-Backbone interact. energy: -2.129 local terms energy: -207.608829 where: bonds (distance) C4'-P energy: -52.956 bonds (distance) P-C4' energy: -50.805 flat angles C4'-P-C4' energy: -53.677 flat angles P-C4'-P energy: -31.693 tors. eta vs tors. theta energy: -18.478 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: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -270.349496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.349496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.349496 (E_RNA) where: Base-Base interactions energy: -93.916 where: short stacking energy: -80.567 Base-Backbone interact. energy: -0.718 local terms energy: -175.715542 where: bonds (distance) C4'-P energy: -46.931 bonds (distance) P-C4' energy: -55.949 flat angles C4'-P-C4' energy: -44.540 flat angles P-C4'-P energy: -31.219 tors. eta vs tors. theta energy: 2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -279.797168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.797168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.797168 (E_RNA) where: Base-Base interactions energy: -126.049 where: short stacking energy: -96.704 Base-Backbone interact. energy: 3.113 local terms energy: -156.861187 where: bonds (distance) C4'-P energy: -48.318 bonds (distance) P-C4' energy: -57.043 flat angles C4'-P-C4' energy: -37.643 flat angles P-C4'-P energy: -26.152 tors. eta vs tors. theta energy: 12.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1082.270576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.270576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.270576 (E_RNA) where: Base-Base interactions energy: -753.251 where: short stacking energy: -321.558 Base-Backbone interact. energy: -2.926 local terms energy: -326.094136 where: bonds (distance) C4'-P energy: -61.307 bonds (distance) P-C4' energy: -63.339 flat angles C4'-P-C4' energy: -56.700 flat angles P-C4'-P energy: -52.262 tors. eta vs tors. theta energy: -92.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -998.835519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.835519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.835519 (E_RNA) where: Base-Base interactions energy: -670.426 where: short stacking energy: -307.347 Base-Backbone interact. energy: 2.068 local terms energy: -330.476704 where: bonds (distance) C4'-P energy: -70.996 bonds (distance) P-C4' energy: -66.060 flat angles C4'-P-C4' energy: -67.310 flat angles P-C4'-P energy: -44.895 tors. eta vs tors. theta energy: -81.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -946.272357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.272357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.272357 (E_RNA) where: Base-Base interactions energy: -637.443 where: short stacking energy: -284.328 Base-Backbone interact. energy: -1.152 local terms energy: -307.678179 where: bonds (distance) C4'-P energy: -56.581 bonds (distance) P-C4' energy: -61.166 flat angles C4'-P-C4' energy: -70.499 flat angles P-C4'-P energy: -46.596 tors. eta vs tors. theta energy: -72.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -866.663322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.663322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.663322 (E_RNA) where: Base-Base interactions energy: -567.583 where: short stacking energy: -257.444 Base-Backbone interact. energy: -1.529 local terms energy: -297.551077 where: bonds (distance) C4'-P energy: -52.245 bonds (distance) P-C4' energy: -69.707 flat angles C4'-P-C4' energy: -68.979 flat angles P-C4'-P energy: -41.973 tors. eta vs tors. theta energy: -64.647 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: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -814.569750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.569750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.569750 (E_RNA) where: Base-Base interactions energy: -534.427 where: short stacking energy: -247.702 Base-Backbone interact. energy: -1.635 local terms energy: -278.507745 where: bonds (distance) C4'-P energy: -50.758 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -67.394 flat angles P-C4'-P energy: -44.600 tors. eta vs tors. theta energy: -61.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -752.537322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.537322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.537322 (E_RNA) where: Base-Base interactions energy: -471.217 where: short stacking energy: -216.835 Base-Backbone interact. energy: -1.945 local terms energy: -279.375424 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -58.404 flat angles C4'-P-C4' energy: -59.400 flat angles P-C4'-P energy: -45.863 tors. eta vs tors. theta energy: -59.513 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: 99 Temperature: 1.200000 Total energy: -665.304895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.304895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.304895 (E_RNA) where: Base-Base interactions energy: -438.104 where: short stacking energy: -190.660 Base-Backbone interact. energy: -1.401 local terms energy: -225.799894 where: bonds (distance) C4'-P energy: -58.137 bonds (distance) P-C4' energy: -47.042 flat angles C4'-P-C4' energy: -40.996 flat angles P-C4'-P energy: -41.496 tors. eta vs tors. theta energy: -38.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -443.995179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.995179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.995179 (E_RNA) where: Base-Base interactions energy: -245.298 where: short stacking energy: -110.640 Base-Backbone interact. energy: -2.098 local terms energy: -196.599246 where: bonds (distance) C4'-P energy: -51.084 bonds (distance) P-C4' energy: -53.877 flat angles C4'-P-C4' energy: -41.333 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -13.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -286.546619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.546619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.546619 (E_RNA) where: Base-Base interactions energy: -109.502 where: short stacking energy: -100.718 Base-Backbone interact. energy: 0.048 local terms energy: -177.092607 where: bonds (distance) C4'-P energy: -45.677 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -50.136 flat angles P-C4'-P energy: -24.113 tors. eta vs tors. theta energy: 2.701 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: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -276.119012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.119012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.119012 (E_RNA) where: Base-Base interactions energy: -88.157 where: short stacking energy: -64.981 Base-Backbone interact. energy: 0.061 local terms energy: -188.022246 where: bonds (distance) C4'-P energy: -57.921 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -46.935 flat angles P-C4'-P energy: -34.173 tors. eta vs tors. theta energy: 9.311 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: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1074.195587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.195587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.195587 (E_RNA) where: Base-Base interactions energy: -721.355 where: short stacking energy: -292.130 Base-Backbone interact. energy: -0.536 local terms energy: -352.305186 where: bonds (distance) C4'-P energy: -65.714 bonds (distance) P-C4' energy: -68.669 flat angles C4'-P-C4' energy: -68.645 flat angles P-C4'-P energy: -59.862 tors. eta vs tors. theta energy: -89.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1015.762086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.762086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.762086 (E_RNA) where: Base-Base interactions energy: -675.619 where: short stacking energy: -307.160 Base-Backbone interact. energy: 1.814 local terms energy: -341.956781 where: bonds (distance) C4'-P energy: -62.821 bonds (distance) P-C4' energy: -64.712 flat angles C4'-P-C4' energy: -65.450 flat angles P-C4'-P energy: -52.617 tors. eta vs tors. theta energy: -96.358 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: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -956.130299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.130299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.130299 (E_RNA) where: Base-Base interactions energy: -647.641 where: short stacking energy: -284.337 Base-Backbone interact. energy: -0.672 local terms energy: -307.816485 where: bonds (distance) C4'-P energy: -51.933 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -72.890 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -75.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -844.975152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.975152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.975152 (E_RNA) where: Base-Base interactions energy: -544.091 where: short stacking energy: -249.482 Base-Backbone interact. energy: -0.993 local terms energy: -299.891038 where: bonds (distance) C4'-P energy: -67.225 bonds (distance) P-C4' energy: -65.904 flat angles C4'-P-C4' energy: -65.299 flat angles P-C4'-P energy: -38.374 tors. eta vs tors. theta energy: -63.089 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: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -797.934548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.934548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.934548 (E_RNA) where: Base-Base interactions energy: -516.426 where: short stacking energy: -231.438 Base-Backbone interact. energy: -0.835 local terms energy: -280.674245 where: bonds (distance) C4'-P energy: -60.307 bonds (distance) P-C4' energy: -66.750 flat angles C4'-P-C4' energy: -63.286 flat angles P-C4'-P energy: -38.275 tors. eta vs tors. theta energy: -52.056 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: 100 Temperature: 1.150000 Total energy: -745.129226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.129226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.129226 (E_RNA) where: Base-Base interactions energy: -494.090 where: short stacking energy: -223.234 Base-Backbone interact. energy: 3.927 local terms energy: -254.965519 where: bonds (distance) C4'-P energy: -44.774 bonds (distance) P-C4' energy: -50.971 flat angles C4'-P-C4' energy: -57.142 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -60.402 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: 100 Temperature: 1.200000 Total energy: -708.222274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.222274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.222274 (E_RNA) where: Base-Base interactions energy: -452.575 where: short stacking energy: -183.144 Base-Backbone interact. energy: -1.348 local terms energy: -254.299317 where: bonds (distance) C4'-P energy: -63.057 bonds (distance) P-C4' energy: -52.234 flat angles C4'-P-C4' energy: -68.230 flat angles P-C4'-P energy: -34.224 tors. eta vs tors. theta energy: -36.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -446.671948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.671948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.671948 (E_RNA) where: Base-Base interactions energy: -246.741 where: short stacking energy: -112.151 Base-Backbone interact. energy: -4.157 local terms energy: -195.774443 where: bonds (distance) C4'-P energy: -41.779 bonds (distance) P-C4' energy: -62.090 flat angles C4'-P-C4' energy: -55.209 flat angles P-C4'-P energy: -39.743 tors. eta vs tors. theta energy: 3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -297.148417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.148417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.148417 (E_RNA) where: Base-Base interactions energy: -100.212 where: short stacking energy: -78.123 Base-Backbone interact. energy: -1.187 local terms energy: -195.748565 where: bonds (distance) C4'-P energy: -55.976 bonds (distance) P-C4' energy: -56.208 flat angles C4'-P-C4' energy: -46.902 flat angles P-C4'-P energy: -37.543 tors. eta vs tors. theta energy: 0.881 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: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -261.466049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.466049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.466049 (E_RNA) where: Base-Base interactions energy: -85.202 where: short stacking energy: -66.991 Base-Backbone interact. energy: 2.804 local terms energy: -179.068114 where: bonds (distance) C4'-P energy: -44.176 bonds (distance) P-C4' energy: -61.519 flat angles C4'-P-C4' energy: -47.289 flat angles P-C4'-P energy: -28.750 tors. eta vs tors. theta energy: 2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1070.723746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.723746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.723746 (E_RNA) where: Base-Base interactions energy: -731.441 where: short stacking energy: -314.783 Base-Backbone interact. energy: -0.717 local terms energy: -338.565563 where: bonds (distance) C4'-P energy: -65.531 bonds (distance) P-C4' energy: -66.117 flat angles C4'-P-C4' energy: -71.396 flat angles P-C4'-P energy: -50.368 tors. eta vs tors. theta energy: -85.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1007.167764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.167764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.167764 (E_RNA) where: Base-Base interactions energy: -683.648 where: short stacking energy: -311.643 Base-Backbone interact. energy: -1.396 local terms energy: -322.123991 where: bonds (distance) C4'-P energy: -58.000 bonds (distance) P-C4' energy: -52.595 flat angles C4'-P-C4' energy: -72.919 flat angles P-C4'-P energy: -43.826 tors. eta vs tors. theta energy: -94.784 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: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -966.965394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.965394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.965394 (E_RNA) where: Base-Base interactions energy: -653.823 where: short stacking energy: -301.258 Base-Backbone interact. energy: 1.088 local terms energy: -314.230137 where: bonds (distance) C4'-P energy: -48.118 bonds (distance) P-C4' energy: -71.443 flat angles C4'-P-C4' energy: -76.727 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -80.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -832.365052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.365052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.365052 (E_RNA) where: Base-Base interactions energy: -525.751 where: short stacking energy: -257.509 Base-Backbone interact. energy: 1.711 local terms energy: -308.325410 where: bonds (distance) C4'-P energy: -50.388 bonds (distance) P-C4' energy: -63.218 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -45.300 tors. eta vs tors. theta energy: -80.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -818.636415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.636415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.636415 (E_RNA) where: Base-Base interactions energy: -528.122 where: short stacking energy: -242.823 Base-Backbone interact. energy: -2.360 local terms energy: -288.154576 where: bonds (distance) C4'-P energy: -67.054 bonds (distance) P-C4' energy: -59.649 flat angles C4'-P-C4' energy: -59.117 flat angles P-C4'-P energy: -35.608 tors. eta vs tors. theta energy: -66.726 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: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -698.457810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.457810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.457810 (E_RNA) where: Base-Base interactions energy: -449.219 where: short stacking energy: -215.430 Base-Backbone interact. energy: -1.946 local terms energy: -247.293092 where: bonds (distance) C4'-P energy: -47.605 bonds (distance) P-C4' energy: -57.194 flat angles C4'-P-C4' energy: -56.354 flat angles P-C4'-P energy: -34.620 tors. eta vs tors. theta energy: -51.519 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: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -659.738011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.738011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.738011 (E_RNA) where: Base-Base interactions energy: -406.255 where: short stacking energy: -179.715 Base-Backbone interact. energy: -0.496 local terms energy: -252.987044 where: bonds (distance) C4'-P energy: -67.122 bonds (distance) P-C4' energy: -49.532 flat angles C4'-P-C4' energy: -68.233 flat angles P-C4'-P energy: -33.084 tors. eta vs tors. theta energy: -35.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -427.706550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.706550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.706550 (E_RNA) where: Base-Base interactions energy: -241.093 where: short stacking energy: -113.097 Base-Backbone interact. energy: -0.067 local terms energy: -186.546886 where: bonds (distance) C4'-P energy: -34.744 bonds (distance) P-C4' energy: -56.629 flat angles C4'-P-C4' energy: -55.899 flat angles P-C4'-P energy: -36.445 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -273.347185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.347185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.347185 (E_RNA) where: Base-Base interactions energy: -87.369 where: short stacking energy: -88.583 Base-Backbone interact. energy: -0.781 local terms energy: -185.196704 where: bonds (distance) C4'-P energy: -56.255 bonds (distance) P-C4' energy: -52.161 flat angles C4'-P-C4' energy: -49.533 flat angles P-C4'-P energy: -23.204 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -266.971003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.971003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.971003 (E_RNA) where: Base-Base interactions energy: -90.130 where: short stacking energy: -72.457 Base-Backbone interact. energy: -1.178 local terms energy: -175.662668 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -58.367 flat angles C4'-P-C4' energy: -33.221 flat angles P-C4'-P energy: -26.416 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1050.988628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.988628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.988628 (E_RNA) where: Base-Base interactions energy: -727.285 where: short stacking energy: -303.868 Base-Backbone interact. energy: 1.271 local terms energy: -324.975187 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -53.088 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -87.638 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: 6 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -994.209640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.209640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.209640 (E_RNA) where: Base-Base interactions energy: -658.560 where: short stacking energy: -311.273 Base-Backbone interact. energy: 5.707 local terms energy: -341.356846 where: bonds (distance) C4'-P energy: -65.240 bonds (distance) P-C4' energy: -60.900 flat angles C4'-P-C4' energy: -70.846 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -90.877 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: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -938.743711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.743711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.743711 (E_RNA) where: Base-Base interactions energy: -635.952 where: short stacking energy: -288.734 Base-Backbone interact. energy: 6.089 local terms energy: -308.881502 where: bonds (distance) C4'-P energy: -67.270 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -58.709 flat angles P-C4'-P energy: -36.809 tors. eta vs tors. theta energy: -76.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -875.518535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.518535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.518535 (E_RNA) where: Base-Base interactions energy: -563.903 where: short stacking energy: -266.136 Base-Backbone interact. energy: 1.497 local terms energy: -313.112440 where: bonds (distance) C4'-P energy: -61.081 bonds (distance) P-C4' energy: -61.898 flat angles C4'-P-C4' energy: -69.351 flat angles P-C4'-P energy: -44.645 tors. eta vs tors. theta energy: -76.137 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: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -814.455377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.455377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.455377 (E_RNA) where: Base-Base interactions energy: -537.856 where: short stacking energy: -249.215 Base-Backbone interact. energy: -1.392 local terms energy: -275.207365 where: bonds (distance) C4'-P energy: -52.933 bonds (distance) P-C4' energy: -58.991 flat angles C4'-P-C4' energy: -65.029 flat angles P-C4'-P energy: -41.840 tors. eta vs tors. theta energy: -56.414 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: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -732.739316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.739316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.739316 (E_RNA) where: Base-Base interactions energy: -454.167 where: short stacking energy: -244.416 Base-Backbone interact. energy: -2.615 local terms energy: -275.957396 where: bonds (distance) C4'-P energy: -61.296 bonds (distance) P-C4' energy: -46.727 flat angles C4'-P-C4' energy: -62.578 flat angles P-C4'-P energy: -36.699 tors. eta vs tors. theta energy: -68.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -661.975370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.975370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.975370 (E_RNA) where: Base-Base interactions energy: -402.733 where: short stacking energy: -197.796 Base-Backbone interact. energy: -1.900 local terms energy: -257.341828 where: bonds (distance) C4'-P energy: -55.861 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -53.752 flat angles P-C4'-P energy: -29.516 tors. eta vs tors. theta energy: -53.359 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: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -447.627757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.627757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.627757 (E_RNA) where: Base-Base interactions energy: -214.905 where: short stacking energy: -137.464 Base-Backbone interact. energy: 1.909 local terms energy: -234.631675 where: bonds (distance) C4'-P energy: -60.763 bonds (distance) P-C4' energy: -52.589 flat angles C4'-P-C4' energy: -50.221 flat angles P-C4'-P energy: -47.046 tors. eta vs tors. theta energy: -24.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -322.118496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.118496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.118496 (E_RNA) where: Base-Base interactions energy: -136.142 where: short stacking energy: -88.359 Base-Backbone interact. energy: 2.112 local terms energy: -188.088661 where: bonds (distance) C4'-P energy: -57.623 bonds (distance) P-C4' energy: -56.274 flat angles C4'-P-C4' energy: -54.587 flat angles P-C4'-P energy: -20.128 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: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -264.802890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.802890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.802890 (E_RNA) where: Base-Base interactions energy: -82.575 where: short stacking energy: -79.183 Base-Backbone interact. energy: 0.088 local terms energy: -182.315897 where: bonds (distance) C4'-P energy: -55.063 bonds (distance) P-C4' energy: -57.945 flat angles C4'-P-C4' energy: -39.794 flat angles P-C4'-P energy: -39.972 tors. eta vs tors. theta energy: 10.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1069.030512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.030512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.030512 (E_RNA) where: Base-Base interactions energy: -741.461 where: short stacking energy: -297.562 Base-Backbone interact. energy: -1.473 local terms energy: -326.096143 where: bonds (distance) C4'-P energy: -54.239 bonds (distance) P-C4' energy: -70.788 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -49.307 tors. eta vs tors. theta energy: -85.882 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: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1015.801389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.801389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.801389 (E_RNA) where: Base-Base interactions energy: -686.513 where: short stacking energy: -299.769 Base-Backbone interact. energy: 0.101 local terms energy: -329.389038 where: bonds (distance) C4'-P energy: -78.650 bonds (distance) P-C4' energy: -60.434 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -36.278 tors. eta vs tors. theta energy: -87.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -949.665160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.665160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.665160 (E_RNA) where: Base-Base interactions energy: -655.430 where: short stacking energy: -297.391 Base-Backbone interact. energy: 1.904 local terms energy: -296.139320 where: bonds (distance) C4'-P energy: -54.273 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -65.865 flat angles P-C4'-P energy: -31.768 tors. eta vs tors. theta energy: -78.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -830.675512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.675512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.675512 (E_RNA) where: Base-Base interactions energy: -532.277 where: short stacking energy: -250.238 Base-Backbone interact. energy: -0.629 local terms energy: -297.769385 where: bonds (distance) C4'-P energy: -52.603 bonds (distance) P-C4' energy: -59.303 flat angles C4'-P-C4' energy: -62.564 flat angles P-C4'-P energy: -50.676 tors. eta vs tors. theta energy: -72.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -857.363450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.363450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.363450 (E_RNA) where: Base-Base interactions energy: -557.783 where: short stacking energy: -248.443 Base-Backbone interact. energy: 1.198 local terms energy: -300.778608 where: bonds (distance) C4'-P energy: -56.916 bonds (distance) P-C4' energy: -66.313 flat angles C4'-P-C4' energy: -70.701 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -64.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -721.781550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.781550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.781550 (E_RNA) where: Base-Base interactions energy: -440.596 where: short stacking energy: -216.651 Base-Backbone interact. energy: -0.883 local terms energy: -280.301714 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -57.701 flat angles C4'-P-C4' energy: -66.117 flat angles P-C4'-P energy: -37.090 tors. eta vs tors. theta energy: -61.447 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: 103 Temperature: 1.200000 Total energy: -670.625685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.625685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.625685 (E_RNA) where: Base-Base interactions energy: -418.080 where: short stacking energy: -174.045 Base-Backbone interact. energy: -2.704 local terms energy: -249.841606 where: bonds (distance) C4'-P energy: -52.696 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -60.017 flat angles P-C4'-P energy: -40.833 tors. eta vs tors. theta energy: -37.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -441.914364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.914364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.914364 (E_RNA) where: Base-Base interactions energy: -233.976 where: short stacking energy: -135.131 Base-Backbone interact. energy: 0.581 local terms energy: -208.519191 where: bonds (distance) C4'-P energy: -59.235 bonds (distance) P-C4' energy: -59.848 flat angles C4'-P-C4' energy: -50.215 flat angles P-C4'-P energy: -31.556 tors. eta vs tors. theta energy: -7.665 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: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -284.403428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.403428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.403428 (E_RNA) where: Base-Base interactions energy: -109.678 where: short stacking energy: -91.104 Base-Backbone interact. energy: 1.276 local terms energy: -176.001935 where: bonds (distance) C4'-P energy: -54.302 bonds (distance) P-C4' energy: -51.067 flat angles C4'-P-C4' energy: -44.707 flat angles P-C4'-P energy: -26.990 tors. eta vs tors. theta energy: 1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -273.283466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.283466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.283466 (E_RNA) where: Base-Base interactions energy: -110.246 where: short stacking energy: -95.977 Base-Backbone interact. energy: -0.781 local terms energy: -162.256870 where: bonds (distance) C4'-P energy: -53.678 bonds (distance) P-C4' energy: -54.601 flat angles C4'-P-C4' energy: -38.606 flat angles P-C4'-P energy: -17.184 tors. eta vs tors. theta energy: 1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1048.797178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.797178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.797178 (E_RNA) where: Base-Base interactions energy: -726.673 where: short stacking energy: -309.623 Base-Backbone interact. energy: -1.686 local terms energy: -320.438099 where: bonds (distance) C4'-P energy: -47.481 bonds (distance) P-C4' energy: -61.602 flat angles C4'-P-C4' energy: -73.394 flat angles P-C4'-P energy: -50.315 tors. eta vs tors. theta energy: -87.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1004.961593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.961593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.961593 (E_RNA) where: Base-Base interactions energy: -682.650 where: short stacking energy: -308.837 Base-Backbone interact. energy: -2.272 local terms energy: -320.039535 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -55.351 flat angles C4'-P-C4' energy: -72.828 flat angles P-C4'-P energy: -42.154 tors. eta vs tors. theta energy: -91.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -957.399566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.399566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.399566 (E_RNA) where: Base-Base interactions energy: -638.660 where: short stacking energy: -287.472 Base-Backbone interact. energy: -1.399 local terms energy: -317.340533 where: bonds (distance) C4'-P energy: -58.574 bonds (distance) P-C4' energy: -62.651 flat angles C4'-P-C4' energy: -70.700 flat angles P-C4'-P energy: -45.782 tors. eta vs tors. theta energy: -79.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -829.155818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.155818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.155818 (E_RNA) where: Base-Base interactions energy: -551.886 where: short stacking energy: -251.357 Base-Backbone interact. energy: -1.484 local terms energy: -275.786194 where: bonds (distance) C4'-P energy: -53.000 bonds (distance) P-C4' energy: -59.454 flat angles C4'-P-C4' energy: -62.159 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: -58.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -792.383676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.383676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.383676 (E_RNA) where: Base-Base interactions energy: -523.817 where: short stacking energy: -223.189 Base-Backbone interact. energy: -2.230 local terms energy: -266.335951 where: bonds (distance) C4'-P energy: -52.120 bonds (distance) P-C4' energy: -62.936 flat angles C4'-P-C4' energy: -58.032 flat angles P-C4'-P energy: -40.779 tors. eta vs tors. theta energy: -52.469 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: 3 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -688.501578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.501578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.501578 (E_RNA) where: Base-Base interactions energy: -447.546 where: short stacking energy: -208.427 Base-Backbone interact. energy: -0.910 local terms energy: -240.045671 where: bonds (distance) C4'-P energy: -39.943 bonds (distance) P-C4' energy: -59.545 flat angles C4'-P-C4' energy: -63.493 flat angles P-C4'-P energy: -43.765 tors. eta vs tors. theta energy: -33.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -679.696689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.696689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.696689 (E_RNA) where: Base-Base interactions energy: -446.458 where: short stacking energy: -195.837 Base-Backbone interact. energy: 1.306 local terms energy: -234.544390 where: bonds (distance) C4'-P energy: -54.663 bonds (distance) P-C4' energy: -49.334 flat angles C4'-P-C4' energy: -56.219 flat angles P-C4'-P energy: -36.484 tors. eta vs tors. theta energy: -37.845 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: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -476.215821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.215821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.215821 (E_RNA) where: Base-Base interactions energy: -271.831 where: short stacking energy: -137.373 Base-Backbone interact. energy: 1.805 local terms energy: -206.189807 where: bonds (distance) C4'-P energy: -50.378 bonds (distance) P-C4' energy: -67.787 flat angles C4'-P-C4' energy: -51.182 flat angles P-C4'-P energy: -30.906 tors. eta vs tors. theta energy: -5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -280.325552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.325552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.325552 (E_RNA) where: Base-Base interactions energy: -106.307 where: short stacking energy: -90.392 Base-Backbone interact. energy: -0.564 local terms energy: -173.454547 where: bonds (distance) C4'-P energy: -48.950 bonds (distance) P-C4' energy: -56.083 flat angles C4'-P-C4' energy: -51.961 flat angles P-C4'-P energy: -29.705 tors. eta vs tors. theta energy: 13.244 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: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -270.598501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.598501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.598501 (E_RNA) where: Base-Base interactions energy: -116.422 where: short stacking energy: -88.663 Base-Backbone interact. energy: -2.016 local terms energy: -152.160519 where: bonds (distance) C4'-P energy: -40.701 bonds (distance) P-C4' energy: -50.239 flat angles C4'-P-C4' energy: -36.329 flat angles P-C4'-P energy: -27.138 tors. eta vs tors. theta energy: 2.246 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: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1043.056257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.056257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.056257 (E_RNA) where: Base-Base interactions energy: -709.885 where: short stacking energy: -303.703 Base-Backbone interact. energy: 2.932 local terms energy: -336.103017 where: bonds (distance) C4'-P energy: -68.192 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -61.886 flat angles P-C4'-P energy: -53.370 tors. eta vs tors. theta energy: -89.911 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: 105 Temperature: 0.950000 Total energy: -982.165177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.165177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.165177 (E_RNA) where: Base-Base interactions energy: -653.609 where: short stacking energy: -294.900 Base-Backbone interact. energy: -0.391 local terms energy: -328.165311 where: bonds (distance) C4'-P energy: -58.442 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -75.657 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: -86.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -977.207148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.207148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.207148 (E_RNA) where: Base-Base interactions energy: -652.283 where: short stacking energy: -306.741 Base-Backbone interact. energy: -0.814 local terms energy: -324.109361 where: bonds (distance) C4'-P energy: -55.843 bonds (distance) P-C4' energy: -61.705 flat angles C4'-P-C4' energy: -72.964 flat angles P-C4'-P energy: -46.040 tors. eta vs tors. theta energy: -87.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -841.300208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.300208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.300208 (E_RNA) where: Base-Base interactions energy: -554.152 where: short stacking energy: -216.584 Base-Backbone interact. energy: -0.145 local terms energy: -287.002866 where: bonds (distance) C4'-P energy: -70.481 bonds (distance) P-C4' energy: -61.983 flat angles C4'-P-C4' energy: -66.320 flat angles P-C4'-P energy: -33.525 tors. eta vs tors. theta energy: -54.694 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: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -777.854577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.854577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.854577 (E_RNA) where: Base-Base interactions energy: -501.992 where: short stacking energy: -208.698 Base-Backbone interact. energy: -0.408 local terms energy: -275.453883 where: bonds (distance) C4'-P energy: -61.434 bonds (distance) P-C4' energy: -69.869 flat angles C4'-P-C4' energy: -66.830 flat angles P-C4'-P energy: -30.759 tors. eta vs tors. theta energy: -46.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -689.764665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.764665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.764665 (E_RNA) where: Base-Base interactions energy: -438.448 where: short stacking energy: -198.135 Base-Backbone interact. energy: 0.018 local terms energy: -251.334571 where: bonds (distance) C4'-P energy: -60.237 bonds (distance) P-C4' energy: -52.519 flat angles C4'-P-C4' energy: -55.736 flat angles P-C4'-P energy: -42.882 tors. eta vs tors. theta energy: -39.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -707.618935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.618935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.618935 (E_RNA) where: Base-Base interactions energy: -469.202 where: short stacking energy: -224.005 Base-Backbone interact. energy: -0.383 local terms energy: -238.034498 where: bonds (distance) C4'-P energy: -44.669 bonds (distance) P-C4' energy: -53.869 flat angles C4'-P-C4' energy: -55.889 flat angles P-C4'-P energy: -34.197 tors. eta vs tors. theta energy: -49.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -495.008006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.008006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.008006 (E_RNA) where: Base-Base interactions energy: -272.993 where: short stacking energy: -126.394 Base-Backbone interact. energy: -0.986 local terms energy: -221.029283 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -51.348 flat angles C4'-P-C4' energy: -54.306 flat angles P-C4'-P energy: -35.677 tors. eta vs tors. theta energy: -22.200 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: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -326.539354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.539354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.539354 (E_RNA) where: Base-Base interactions energy: -129.458 where: short stacking energy: -112.147 Base-Backbone interact. energy: -1.112 local terms energy: -195.968939 where: bonds (distance) C4'-P energy: -51.891 bonds (distance) P-C4' energy: -52.890 flat angles C4'-P-C4' energy: -48.911 flat angles P-C4'-P energy: -38.393 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -325.639880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.639880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.639880 (E_RNA) where: Base-Base interactions energy: -155.776 where: short stacking energy: -96.763 Base-Backbone interact. energy: 3.710 local terms energy: -173.574546 where: bonds (distance) C4'-P energy: -49.666 bonds (distance) P-C4' energy: -50.322 flat angles C4'-P-C4' energy: -48.462 flat angles P-C4'-P energy: -30.449 tors. eta vs tors. theta energy: 5.324 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: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1079.679090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.679090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.679090 (E_RNA) where: Base-Base interactions energy: -740.100 where: short stacking energy: -303.209 Base-Backbone interact. energy: -0.806 local terms energy: -338.773851 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -68.548 flat angles C4'-P-C4' energy: -71.614 flat angles P-C4'-P energy: -53.262 tors. eta vs tors. theta energy: -87.538 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: 6 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1028.566253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.566253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.566253 (E_RNA) where: Base-Base interactions energy: -691.105 where: short stacking energy: -301.379 Base-Backbone interact. energy: -3.022 local terms energy: -334.438748 where: bonds (distance) C4'-P energy: -60.832 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -65.787 flat angles P-C4'-P energy: -45.540 tors. eta vs tors. theta energy: -93.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -973.150514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.150514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.150514 (E_RNA) where: Base-Base interactions energy: -648.593 where: short stacking energy: -287.102 Base-Backbone interact. energy: -1.238 local terms energy: -323.319338 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -63.915 flat angles P-C4'-P energy: -44.507 tors. eta vs tors. theta energy: -82.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -851.444947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.444947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.444947 (E_RNA) where: Base-Base interactions energy: -556.572 where: short stacking energy: -257.151 Base-Backbone interact. energy: -1.520 local terms energy: -293.352506 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -61.096 flat angles P-C4'-P energy: -55.413 tors. eta vs tors. theta energy: -59.401 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: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -775.018823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.018823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.018823 (E_RNA) where: Base-Base interactions energy: -490.471 where: short stacking energy: -227.226 Base-Backbone interact. energy: -0.027 local terms energy: -284.520942 where: bonds (distance) C4'-P energy: -59.440 bonds (distance) P-C4' energy: -65.724 flat angles C4'-P-C4' energy: -70.100 flat angles P-C4'-P energy: -38.011 tors. eta vs tors. theta energy: -51.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -698.395569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.395569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.395569 (E_RNA) where: Base-Base interactions energy: -441.046 where: short stacking energy: -197.113 Base-Backbone interact. energy: -1.147 local terms energy: -256.202047 where: bonds (distance) C4'-P energy: -62.745 bonds (distance) P-C4' energy: -50.353 flat angles C4'-P-C4' energy: -58.976 flat angles P-C4'-P energy: -37.109 tors. eta vs tors. theta energy: -47.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -728.369992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.369992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.369992 (E_RNA) where: Base-Base interactions energy: -474.073 where: short stacking energy: -230.162 Base-Backbone interact. energy: 0.809 local terms energy: -255.106099 where: bonds (distance) C4'-P energy: -50.448 bonds (distance) P-C4' energy: -50.423 flat angles C4'-P-C4' energy: -57.537 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: -54.883 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: 106 Temperature: 1.250000 Total energy: -513.609270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.609270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.609270 (E_RNA) where: Base-Base interactions energy: -300.611 where: short stacking energy: -158.173 Base-Backbone interact. energy: -1.208 local terms energy: -211.789391 where: bonds (distance) C4'-P energy: -51.129 bonds (distance) P-C4' energy: -48.153 flat angles C4'-P-C4' energy: -56.819 flat angles P-C4'-P energy: -33.359 tors. eta vs tors. theta energy: -22.329 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: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -298.027269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.027269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.027269 (E_RNA) where: Base-Base interactions energy: -94.962 where: short stacking energy: -75.889 Base-Backbone interact. energy: -0.677 local terms energy: -202.388209 where: bonds (distance) C4'-P energy: -59.936 bonds (distance) P-C4' energy: -55.217 flat angles C4'-P-C4' energy: -55.476 flat angles P-C4'-P energy: -24.172 tors. eta vs tors. theta energy: -7.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -263.330039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.330039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.330039 (E_RNA) where: Base-Base interactions energy: -84.779 where: short stacking energy: -80.358 Base-Backbone interact. energy: -0.610 local terms energy: -177.941147 where: bonds (distance) C4'-P energy: -53.833 bonds (distance) P-C4' energy: -59.421 flat angles C4'-P-C4' energy: -43.465 flat angles P-C4'-P energy: -24.173 tors. eta vs tors. theta energy: 2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1087.394936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.394936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.394936 (E_RNA) where: Base-Base interactions energy: -750.623 where: short stacking energy: -320.856 Base-Backbone interact. energy: -1.658 local terms energy: -335.113347 where: bonds (distance) C4'-P energy: -60.634 bonds (distance) P-C4' energy: -61.294 flat angles C4'-P-C4' energy: -70.418 flat angles P-C4'-P energy: -48.163 tors. eta vs tors. theta energy: -94.604 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: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1044.863441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.863441 (E_RNA) where: Base-Base interactions energy: -717.767 where: short stacking energy: -316.889 Base-Backbone interact. energy: -1.719 local terms energy: -325.377398 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -56.850 flat angles C4'-P-C4' energy: -66.263 flat angles P-C4'-P energy: -46.617 tors. eta vs tors. theta energy: -91.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -952.883556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.883556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.883556 (E_RNA) where: Base-Base interactions energy: -644.699 where: short stacking energy: -292.387 Base-Backbone interact. energy: -1.204 local terms energy: -306.980579 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -63.110 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -46.926 tors. eta vs tors. theta energy: -76.132 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: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -890.290506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.290506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.290506 (E_RNA) where: Base-Base interactions energy: -595.008 where: short stacking energy: -262.933 Base-Backbone interact. energy: 1.456 local terms energy: -296.738965 where: bonds (distance) C4'-P energy: -62.352 bonds (distance) P-C4' energy: -61.143 flat angles C4'-P-C4' energy: -69.977 flat angles P-C4'-P energy: -41.843 tors. eta vs tors. theta energy: -61.425 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: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -750.947258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.947258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.947258 (E_RNA) where: Base-Base interactions energy: -506.730 where: short stacking energy: -202.437 Base-Backbone interact. energy: 0.841 local terms energy: -245.058463 where: bonds (distance) C4'-P energy: -46.361 bonds (distance) P-C4' energy: -56.426 flat angles C4'-P-C4' energy: -62.435 flat angles P-C4'-P energy: -41.733 tors. eta vs tors. theta energy: -38.105 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: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -747.852722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.852722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.852722 (E_RNA) where: Base-Base interactions energy: -485.767 where: short stacking energy: -209.402 Base-Backbone interact. energy: -0.234 local terms energy: -261.851514 where: bonds (distance) C4'-P energy: -60.494 bonds (distance) P-C4' energy: -54.853 flat angles C4'-P-C4' energy: -62.662 flat angles P-C4'-P energy: -33.064 tors. eta vs tors. theta energy: -50.778 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: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -719.933008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.933008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.933008 (E_RNA) where: Base-Base interactions energy: -447.080 where: short stacking energy: -220.760 Base-Backbone interact. energy: -1.097 local terms energy: -271.756229 where: bonds (distance) C4'-P energy: -53.294 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -59.413 flat angles P-C4'-P energy: -39.079 tors. eta vs tors. theta energy: -56.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -536.665437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.665437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.665437 (E_RNA) where: Base-Base interactions energy: -332.658 where: short stacking energy: -159.191 Base-Backbone interact. energy: 1.561 local terms energy: -205.568727 where: bonds (distance) C4'-P energy: -40.866 bonds (distance) P-C4' energy: -40.882 flat angles C4'-P-C4' energy: -62.181 flat angles P-C4'-P energy: -32.682 tors. eta vs tors. theta energy: -28.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -327.517743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.517743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.517743 (E_RNA) where: Base-Base interactions energy: -140.748 where: short stacking energy: -105.452 Base-Backbone interact. energy: -1.431 local terms energy: -185.338305 where: bonds (distance) C4'-P energy: -44.429 bonds (distance) P-C4' energy: -55.403 flat angles C4'-P-C4' energy: -58.369 flat angles P-C4'-P energy: -24.801 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -261.132935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.132935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.132935 (E_RNA) where: Base-Base interactions energy: -86.368 where: short stacking energy: -61.061 Base-Backbone interact. energy: 1.199 local terms energy: -175.964357 where: bonds (distance) C4'-P energy: -48.438 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -61.456 flat angles P-C4'-P energy: -21.815 tors. eta vs tors. theta energy: 15.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1048.556553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.556553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.556553 (E_RNA) where: Base-Base interactions energy: -717.345 where: short stacking energy: -310.626 Base-Backbone interact. energy: -2.263 local terms energy: -328.948214 where: bonds (distance) C4'-P energy: -64.022 bonds (distance) P-C4' energy: -63.626 flat angles C4'-P-C4' energy: -65.607 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -85.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -998.846057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.846057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.846057 (E_RNA) where: Base-Base interactions energy: -675.332 where: short stacking energy: -295.973 Base-Backbone interact. energy: -0.723 local terms energy: -322.790691 where: bonds (distance) C4'-P energy: -65.779 bonds (distance) P-C4' energy: -68.699 flat angles C4'-P-C4' energy: -66.152 flat angles P-C4'-P energy: -40.719 tors. eta vs tors. theta energy: -81.443 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: 108 Temperature: 1.000000 Total energy: -937.469504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.469504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.469504 (E_RNA) where: Base-Base interactions energy: -639.603 where: short stacking energy: -282.680 Base-Backbone interact. energy: -1.566 local terms energy: -296.301107 where: bonds (distance) C4'-P energy: -55.143 bonds (distance) P-C4' energy: -58.484 flat angles C4'-P-C4' energy: -72.640 flat angles P-C4'-P energy: -44.998 tors. eta vs tors. theta energy: -65.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -844.478635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.478635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.478635 (E_RNA) where: Base-Base interactions energy: -538.364 where: short stacking energy: -251.876 Base-Backbone interact. energy: -1.933 local terms energy: -304.180736 where: bonds (distance) C4'-P energy: -57.975 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -74.372 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -65.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -802.552779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.552779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.552779 (E_RNA) where: Base-Base interactions energy: -537.315 where: short stacking energy: -234.543 Base-Backbone interact. energy: -0.608 local terms energy: -264.629207 where: bonds (distance) C4'-P energy: -39.227 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: -55.041 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: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -715.151890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.151890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.151890 (E_RNA) where: Base-Base interactions energy: -460.963 where: short stacking energy: -202.892 Base-Backbone interact. energy: -0.436 local terms energy: -253.752401 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -59.371 flat angles C4'-P-C4' energy: -48.800 flat angles P-C4'-P energy: -33.692 tors. eta vs tors. theta energy: -52.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -662.986621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.986621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.986621 (E_RNA) where: Base-Base interactions energy: -429.106 where: short stacking energy: -194.645 Base-Backbone interact. energy: 2.154 local terms energy: -236.035395 where: bonds (distance) C4'-P energy: -55.716 bonds (distance) P-C4' energy: -57.399 flat angles C4'-P-C4' energy: -50.909 flat angles P-C4'-P energy: -34.810 tors. eta vs tors. theta energy: -37.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -525.054154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.054154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.054154 (E_RNA) where: Base-Base interactions energy: -317.788 where: short stacking energy: -163.720 Base-Backbone interact. energy: -0.700 local terms energy: -206.566348 where: bonds (distance) C4'-P energy: -51.122 bonds (distance) P-C4' energy: -47.744 flat angles C4'-P-C4' energy: -57.329 flat angles P-C4'-P energy: -29.434 tors. eta vs tors. theta energy: -20.936 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: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -342.889200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.889200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.889200 (E_RNA) where: Base-Base interactions energy: -147.095 where: short stacking energy: -115.176 Base-Backbone interact. energy: 2.472 local terms energy: -198.266278 where: bonds (distance) C4'-P energy: -52.571 bonds (distance) P-C4' energy: -56.769 flat angles C4'-P-C4' energy: -44.838 flat angles P-C4'-P energy: -38.777 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -282.313839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.313839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.313839 (E_RNA) where: Base-Base interactions energy: -118.229 where: short stacking energy: -78.443 Base-Backbone interact. energy: -1.115 local terms energy: -162.969083 where: bonds (distance) C4'-P energy: -49.630 bonds (distance) P-C4' energy: -49.406 flat angles C4'-P-C4' energy: -39.837 flat angles P-C4'-P energy: -30.567 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: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1037.061034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.061034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.061034 (E_RNA) where: Base-Base interactions energy: -712.278 where: short stacking energy: -320.543 Base-Backbone interact. energy: 0.106 local terms energy: -324.889233 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -65.637 flat angles C4'-P-C4' energy: -72.664 flat angles P-C4'-P energy: -41.604 tors. eta vs tors. theta energy: -87.307 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: 2, replica: 6 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1028.148559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.148559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.148559 (E_RNA) where: Base-Base interactions energy: -703.644 where: short stacking energy: -312.687 Base-Backbone interact. energy: -0.871 local terms energy: -323.633942 where: bonds (distance) C4'-P energy: -54.672 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -70.590 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -83.273 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: 2 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -960.355502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.355502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.355502 (E_RNA) where: Base-Base interactions energy: -659.316 where: short stacking energy: -299.864 Base-Backbone interact. energy: -0.819 local terms energy: -300.220365 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -56.018 flat angles C4'-P-C4' energy: -62.438 flat angles P-C4'-P energy: -43.102 tors. eta vs tors. theta energy: -76.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -863.891517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.891517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.891517 (E_RNA) where: Base-Base interactions energy: -575.793 where: short stacking energy: -265.806 Base-Backbone interact. energy: -1.441 local terms energy: -286.657066 where: bonds (distance) C4'-P energy: -51.445 bonds (distance) P-C4' energy: -48.690 flat angles C4'-P-C4' energy: -67.100 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -71.052 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: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -854.751527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.751527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.751527 (E_RNA) where: Base-Base interactions energy: -564.019 where: short stacking energy: -256.953 Base-Backbone interact. energy: -0.269 local terms energy: -290.464047 where: bonds (distance) C4'-P energy: -59.141 bonds (distance) P-C4' energy: -49.744 flat angles C4'-P-C4' energy: -59.131 flat angles P-C4'-P energy: -43.970 tors. eta vs tors. theta energy: -78.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -710.925857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.925857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.925857 (E_RNA) where: Base-Base interactions energy: -463.352 where: short stacking energy: -196.983 Base-Backbone interact. energy: -1.368 local terms energy: -246.206042 where: bonds (distance) C4'-P energy: -50.113 bonds (distance) P-C4' energy: -70.017 flat angles C4'-P-C4' energy: -56.617 flat angles P-C4'-P energy: -31.272 tors. eta vs tors. theta energy: -38.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -657.171885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.171885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.171885 (E_RNA) where: Base-Base interactions energy: -420.690 where: short stacking energy: -190.125 Base-Backbone interact. energy: 0.074 local terms energy: -236.555794 where: bonds (distance) C4'-P energy: -50.968 bonds (distance) P-C4' energy: -56.479 flat angles C4'-P-C4' energy: -57.725 flat angles P-C4'-P energy: -34.625 tors. eta vs tors. theta energy: -36.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -498.004370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.004370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.004370 (E_RNA) where: Base-Base interactions energy: -285.679 where: short stacking energy: -140.203 Base-Backbone interact. energy: 1.772 local terms energy: -214.096909 where: bonds (distance) C4'-P energy: -60.585 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -42.148 flat angles P-C4'-P energy: -32.380 tors. eta vs tors. theta energy: -12.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -352.693364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.693364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.693364 (E_RNA) where: Base-Base interactions energy: -170.080 where: short stacking energy: -115.863 Base-Backbone interact. energy: -1.650 local terms energy: -180.963065 where: bonds (distance) C4'-P energy: -61.843 bonds (distance) P-C4' energy: -44.201 flat angles C4'-P-C4' energy: -57.356 flat angles P-C4'-P energy: -15.362 tors. eta vs tors. theta energy: -2.202 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: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -287.814508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.814508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.814508 (E_RNA) where: Base-Base interactions energy: -121.973 where: short stacking energy: -97.280 Base-Backbone interact. energy: 2.340 local terms energy: -168.181594 where: bonds (distance) C4'-P energy: -40.950 bonds (distance) P-C4' energy: -55.089 flat angles C4'-P-C4' energy: -52.631 flat angles P-C4'-P energy: -20.614 tors. eta vs tors. theta energy: 1.103 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: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1057.549031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.549031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.549031 (E_RNA) where: Base-Base interactions energy: -723.678 where: short stacking energy: -322.126 Base-Backbone interact. energy: -1.049 local terms energy: -332.821906 where: bonds (distance) C4'-P energy: -67.819 bonds (distance) P-C4' energy: -58.819 flat angles C4'-P-C4' energy: -68.409 flat angles P-C4'-P energy: -51.265 tors. eta vs tors. theta energy: -86.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1017.025338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.025338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.025338 (E_RNA) where: Base-Base interactions energy: -690.285 where: short stacking energy: -298.713 Base-Backbone interact. energy: -2.850 local terms energy: -323.890611 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -60.883 flat angles C4'-P-C4' energy: -69.793 flat angles P-C4'-P energy: -39.778 tors. eta vs tors. theta energy: -93.447 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: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -951.892687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.892687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.892687 (E_RNA) where: Base-Base interactions energy: -652.501 where: short stacking energy: -295.579 Base-Backbone interact. energy: -0.659 local terms energy: -298.732614 where: bonds (distance) C4'-P energy: -51.238 bonds (distance) P-C4' energy: -68.334 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -36.550 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: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -850.444368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.444368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.444368 (E_RNA) where: Base-Base interactions energy: -548.682 where: short stacking energy: -253.682 Base-Backbone interact. energy: -0.471 local terms energy: -301.292196 where: bonds (distance) C4'-P energy: -57.472 bonds (distance) P-C4' energy: -68.815 flat angles C4'-P-C4' energy: -58.750 flat angles P-C4'-P energy: -41.891 tors. eta vs tors. theta energy: -74.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -818.140203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.140203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.140203 (E_RNA) where: Base-Base interactions energy: -545.896 where: short stacking energy: -243.701 Base-Backbone interact. energy: -0.925 local terms energy: -271.319206 where: bonds (distance) C4'-P energy: -53.669 bonds (distance) P-C4' energy: -56.594 flat angles C4'-P-C4' energy: -62.244 flat angles P-C4'-P energy: -38.637 tors. eta vs tors. theta energy: -60.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -698.135748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.135748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.135748 (E_RNA) where: Base-Base interactions energy: -446.503 where: short stacking energy: -196.104 Base-Backbone interact. energy: -3.264 local terms energy: -248.368781 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -50.774 flat angles C4'-P-C4' energy: -61.219 flat angles P-C4'-P energy: -31.016 tors. eta vs tors. theta energy: -42.629 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: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -702.848422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.848422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.848422 (E_RNA) where: Base-Base interactions energy: -448.648 where: short stacking energy: -221.091 Base-Backbone interact. energy: -1.019 local terms energy: -253.181256 where: bonds (distance) C4'-P energy: -49.945 bonds (distance) P-C4' energy: -51.116 flat angles C4'-P-C4' energy: -59.920 flat angles P-C4'-P energy: -43.696 tors. eta vs tors. theta energy: -48.504 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: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -491.348075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.348075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.348075 (E_RNA) where: Base-Base interactions energy: -282.466 where: short stacking energy: -150.339 Base-Backbone interact. energy: -0.021 local terms energy: -208.861151 where: bonds (distance) C4'-P energy: -55.863 bonds (distance) P-C4' energy: -55.029 flat angles C4'-P-C4' energy: -49.916 flat angles P-C4'-P energy: -33.819 tors. eta vs tors. theta energy: -14.235 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: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -334.121158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.121158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.121158 (E_RNA) where: Base-Base interactions energy: -151.401 where: short stacking energy: -89.294 Base-Backbone interact. energy: 0.042 local terms energy: -182.761673 where: bonds (distance) C4'-P energy: -42.113 bonds (distance) P-C4' energy: -62.044 flat angles C4'-P-C4' energy: -48.271 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: 4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -273.494081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.494081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.494081 (E_RNA) where: Base-Base interactions energy: -102.560 where: short stacking energy: -87.492 Base-Backbone interact. energy: -0.148 local terms energy: -170.786510 where: bonds (distance) C4'-P energy: -45.047 bonds (distance) P-C4' energy: -51.773 flat angles C4'-P-C4' energy: -52.788 flat angles P-C4'-P energy: -32.567 tors. eta vs tors. theta energy: 11.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1076.680227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.680227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.680227 (E_RNA) where: Base-Base interactions energy: -739.953 where: short stacking energy: -307.742 Base-Backbone interact. energy: -1.967 local terms energy: -334.760622 where: bonds (distance) C4'-P energy: -65.642 bonds (distance) P-C4' energy: -63.525 flat angles C4'-P-C4' energy: -67.370 flat angles P-C4'-P energy: -52.059 tors. eta vs tors. theta energy: -86.164 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: 2, replica: 6 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1025.961180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.961180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.961180 (E_RNA) where: Base-Base interactions energy: -689.987 where: short stacking energy: -315.795 Base-Backbone interact. energy: -3.405 local terms energy: -332.568965 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -60.249 flat angles C4'-P-C4' energy: -75.610 flat angles P-C4'-P energy: -37.641 tors. eta vs tors. theta energy: -95.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -966.088012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.088012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.088012 (E_RNA) where: Base-Base interactions energy: -656.128 where: short stacking energy: -312.283 Base-Backbone interact. energy: -0.624 local terms energy: -309.336833 where: bonds (distance) C4'-P energy: -47.710 bonds (distance) P-C4' energy: -56.170 flat angles C4'-P-C4' energy: -69.761 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -88.482 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: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -830.910669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.910669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.910669 (E_RNA) where: Base-Base interactions energy: -530.824 where: short stacking energy: -250.890 Base-Backbone interact. energy: -0.372 local terms energy: -299.714537 where: bonds (distance) C4'-P energy: -56.055 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -63.581 flat angles P-C4'-P energy: -50.637 tors. eta vs tors. theta energy: -63.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -810.141961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.141961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.141961 (E_RNA) where: Base-Base interactions energy: -548.956 where: short stacking energy: -238.310 Base-Backbone interact. energy: -0.039 local terms energy: -261.147091 where: bonds (distance) C4'-P energy: -52.907 bonds (distance) P-C4' energy: -56.599 flat angles C4'-P-C4' energy: -62.876 flat angles P-C4'-P energy: -29.243 tors. eta vs tors. theta energy: -59.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -731.215796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.215796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.215796 (E_RNA) where: Base-Base interactions energy: -453.380 where: short stacking energy: -205.292 Base-Backbone interact. energy: -1.303 local terms energy: -276.532965 where: bonds (distance) C4'-P energy: -49.737 bonds (distance) P-C4' energy: -60.480 flat angles C4'-P-C4' energy: -62.820 flat angles P-C4'-P energy: -46.706 tors. eta vs tors. theta energy: -56.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -676.311041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.311041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.311041 (E_RNA) where: Base-Base interactions energy: -437.537 where: short stacking energy: -177.481 Base-Backbone interact. energy: -1.403 local terms energy: -237.371357 where: bonds (distance) C4'-P energy: -52.662 bonds (distance) P-C4' energy: -58.641 flat angles C4'-P-C4' energy: -63.032 flat angles P-C4'-P energy: -33.859 tors. eta vs tors. theta energy: -29.177 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: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -359.083595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.083595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.083595 (E_RNA) where: Base-Base interactions energy: -163.326 where: short stacking energy: -93.611 Base-Backbone interact. energy: -0.915 local terms energy: -194.842644 where: bonds (distance) C4'-P energy: -60.023 bonds (distance) P-C4' energy: -50.604 flat angles C4'-P-C4' energy: -48.983 flat angles P-C4'-P energy: -28.118 tors. eta vs tors. theta energy: -7.114 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: 111 Temperature: 1.300000 Total energy: -433.788305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.788305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.788305 (E_RNA) where: Base-Base interactions energy: -244.911 where: short stacking energy: -114.627 Base-Backbone interact. energy: -0.208 local terms energy: -188.668494 where: bonds (distance) C4'-P energy: -52.634 bonds (distance) P-C4' energy: -53.844 flat angles C4'-P-C4' energy: -44.672 flat angles P-C4'-P energy: -23.037 tors. eta vs tors. theta energy: -14.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -265.330832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.330832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.330832 (E_RNA) where: Base-Base interactions energy: -82.884 where: short stacking energy: -64.390 Base-Backbone interact. energy: -2.527 local terms energy: -179.918986 where: bonds (distance) C4'-P energy: -46.987 bonds (distance) P-C4' energy: -54.070 flat angles C4'-P-C4' energy: -48.277 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: 3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1037.918771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.918771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.918771 (E_RNA) where: Base-Base interactions energy: -703.901 where: short stacking energy: -297.613 Base-Backbone interact. energy: -2.925 local terms energy: -331.092403 where: bonds (distance) C4'-P energy: -65.661 bonds (distance) P-C4' energy: -65.616 flat angles C4'-P-C4' energy: -66.219 flat angles P-C4'-P energy: -51.613 tors. eta vs tors. theta energy: -81.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -993.362447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.362447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.362447 (E_RNA) where: Base-Base interactions energy: -667.408 where: short stacking energy: -282.717 Base-Backbone interact. energy: -1.338 local terms energy: -324.616656 where: bonds (distance) C4'-P energy: -61.099 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -68.840 flat angles P-C4'-P energy: -47.159 tors. eta vs tors. theta energy: -83.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -955.755779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.755779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.755779 (E_RNA) where: Base-Base interactions energy: -648.738 where: short stacking energy: -293.234 Base-Backbone interact. energy: 1.222 local terms energy: -308.240198 where: bonds (distance) C4'-P energy: -60.071 bonds (distance) P-C4' energy: -61.689 flat angles C4'-P-C4' energy: -59.348 flat angles P-C4'-P energy: -44.465 tors. eta vs tors. theta energy: -82.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -825.496470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.496470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.496470 (E_RNA) where: Base-Base interactions energy: -538.069 where: short stacking energy: -244.870 Base-Backbone interact. energy: -1.349 local terms energy: -286.078503 where: bonds (distance) C4'-P energy: -58.618 bonds (distance) P-C4' energy: -47.772 flat angles C4'-P-C4' energy: -77.474 flat angles P-C4'-P energy: -39.536 tors. eta vs tors. theta energy: -62.678 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: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -839.832849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.832849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.832849 (E_RNA) where: Base-Base interactions energy: -559.909 where: short stacking energy: -244.643 Base-Backbone interact. energy: -2.396 local terms energy: -277.527646 where: bonds (distance) C4'-P energy: -59.077 bonds (distance) P-C4' energy: -57.088 flat angles C4'-P-C4' energy: -67.594 flat angles P-C4'-P energy: -40.175 tors. eta vs tors. theta energy: -53.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -752.522539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.522539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.522539 (E_RNA) where: Base-Base interactions energy: -476.980 where: short stacking energy: -224.077 Base-Backbone interact. energy: -0.406 local terms energy: -275.136924 where: bonds (distance) C4'-P energy: -62.221 bonds (distance) P-C4' energy: -61.051 flat angles C4'-P-C4' energy: -53.056 flat angles P-C4'-P energy: -36.713 tors. eta vs tors. theta energy: -62.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -667.651119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.651119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.651119 (E_RNA) where: Base-Base interactions energy: -424.001 where: short stacking energy: -189.010 Base-Backbone interact. energy: 0.034 local terms energy: -243.684085 where: bonds (distance) C4'-P energy: -54.515 bonds (distance) P-C4' energy: -52.693 flat angles C4'-P-C4' energy: -59.714 flat angles P-C4'-P energy: -33.023 tors. eta vs tors. theta energy: -43.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -378.820502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.820502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.820502 (E_RNA) where: Base-Base interactions energy: -190.729 where: short stacking energy: -111.009 Base-Backbone interact. energy: 1.770 local terms energy: -189.861860 where: bonds (distance) C4'-P energy: -49.607 bonds (distance) P-C4' energy: -63.567 flat angles C4'-P-C4' energy: -44.858 flat angles P-C4'-P energy: -31.403 tors. eta vs tors. theta energy: -0.426 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: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -466.859378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.859378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.859378 (E_RNA) where: Base-Base interactions energy: -278.999 where: short stacking energy: -140.693 Base-Backbone interact. energy: -1.827 local terms energy: -186.034320 where: bonds (distance) C4'-P energy: -36.772 bonds (distance) P-C4' energy: -53.596 flat angles C4'-P-C4' energy: -53.242 flat angles P-C4'-P energy: -30.035 tors. eta vs tors. theta energy: -12.389 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: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -274.403444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.403444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.403444 (E_RNA) where: Base-Base interactions energy: -113.983 where: short stacking energy: -80.264 Base-Backbone interact. energy: 1.376 local terms energy: -161.796173 where: bonds (distance) C4'-P energy: -43.555 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -45.470 flat angles P-C4'-P energy: -13.870 tors. eta vs tors. theta energy: 1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1060.510351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.510351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.510351 (E_RNA) where: Base-Base interactions energy: -718.857 where: short stacking energy: -300.296 Base-Backbone interact. energy: -0.847 local terms energy: -340.806588 where: bonds (distance) C4'-P energy: -64.413 bonds (distance) P-C4' energy: -67.289 flat angles C4'-P-C4' energy: -69.854 flat angles P-C4'-P energy: -57.686 tors. eta vs tors. theta energy: -81.564 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: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -974.961618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.961618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.961618 (E_RNA) where: Base-Base interactions energy: -653.773 where: short stacking energy: -298.083 Base-Backbone interact. energy: -0.002 local terms energy: -321.186870 where: bonds (distance) C4'-P energy: -59.169 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -69.469 flat angles P-C4'-P energy: -38.792 tors. eta vs tors. theta energy: -89.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -992.728412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.728412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.728412 (E_RNA) where: Base-Base interactions energy: -661.272 where: short stacking energy: -292.176 Base-Backbone interact. energy: -1.472 local terms energy: -329.983848 where: bonds (distance) C4'-P energy: -56.186 bonds (distance) P-C4' energy: -70.198 flat angles C4'-P-C4' energy: -68.511 flat angles P-C4'-P energy: -52.323 tors. eta vs tors. theta energy: -82.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -848.705456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.705456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.705456 (E_RNA) where: Base-Base interactions energy: -558.218 where: short stacking energy: -241.185 Base-Backbone interact. energy: -1.752 local terms energy: -288.735491 where: bonds (distance) C4'-P energy: -62.261 bonds (distance) P-C4' energy: -58.171 flat angles C4'-P-C4' energy: -61.808 flat angles P-C4'-P energy: -43.284 tors. eta vs tors. theta energy: -63.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -811.487861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.487861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.487861 (E_RNA) where: Base-Base interactions energy: -515.879 where: short stacking energy: -235.816 Base-Backbone interact. energy: -3.524 local terms energy: -292.084338 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -73.671 flat angles C4'-P-C4' energy: -64.278 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: -62.536 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: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -739.937055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.937055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.937055 (E_RNA) where: Base-Base interactions energy: -472.352 where: short stacking energy: -201.197 Base-Backbone interact. energy: 0.299 local terms energy: -267.884758 where: bonds (distance) C4'-P energy: -62.113 bonds (distance) P-C4' energy: -58.782 flat angles C4'-P-C4' energy: -64.113 flat angles P-C4'-P energy: -35.535 tors. eta vs tors. theta energy: -47.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -671.190097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.190097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.190097 (E_RNA) where: Base-Base interactions energy: -433.995 where: short stacking energy: -193.949 Base-Backbone interact. energy: -1.191 local terms energy: -236.003814 where: bonds (distance) C4'-P energy: -44.887 bonds (distance) P-C4' energy: -49.976 flat angles C4'-P-C4' energy: -54.667 flat angles P-C4'-P energy: -31.260 tors. eta vs tors. theta energy: -55.214 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: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -530.017933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.017933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.017933 (E_RNA) where: Base-Base interactions energy: -299.643 where: short stacking energy: -151.096 Base-Backbone interact. energy: 0.986 local terms energy: -231.361295 where: bonds (distance) C4'-P energy: -57.204 bonds (distance) P-C4' energy: -53.787 flat angles C4'-P-C4' energy: -54.135 flat angles P-C4'-P energy: -35.528 tors. eta vs tors. theta energy: -30.706 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: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -306.077850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.077850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.077850 (E_RNA) where: Base-Base interactions energy: -138.752 where: short stacking energy: -73.853 Base-Backbone interact. energy: -0.869 local terms energy: -166.456653 where: bonds (distance) C4'-P energy: -48.237 bonds (distance) P-C4' energy: -46.897 flat angles C4'-P-C4' energy: -49.281 flat angles P-C4'-P energy: -24.410 tors. eta vs tors. theta energy: 2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -331.225598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.225598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.225598 (E_RNA) where: Base-Base interactions energy: -172.533 where: short stacking energy: -114.877 Base-Backbone interact. energy: 6.157 local terms energy: -164.849476 where: bonds (distance) C4'-P energy: -51.044 bonds (distance) P-C4' energy: -54.055 flat angles C4'-P-C4' energy: -34.124 flat angles P-C4'-P energy: -32.562 tors. eta vs tors. theta energy: 6.935 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: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1042.990978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.990978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.990978 (E_RNA) where: Base-Base interactions energy: -707.284 where: short stacking energy: -304.740 Base-Backbone interact. energy: -2.121 local terms energy: -333.585614 where: bonds (distance) C4'-P energy: -67.489 bonds (distance) P-C4' energy: -62.951 flat angles C4'-P-C4' energy: -72.875 flat angles P-C4'-P energy: -48.806 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: 2, replica: 6 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -975.053765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.053765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.053765 (E_RNA) where: Base-Base interactions energy: -636.562 where: short stacking energy: -298.557 Base-Backbone interact. energy: -1.401 local terms energy: -337.090756 where: bonds (distance) C4'-P energy: -63.172 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -71.791 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -93.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -946.774326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.774326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.774326 (E_RNA) where: Base-Base interactions energy: -645.690 where: short stacking energy: -278.538 Base-Backbone interact. energy: -0.603 local terms energy: -300.481981 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -68.440 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -72.750 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: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -868.858948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.858948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.858948 (E_RNA) where: Base-Base interactions energy: -587.495 where: short stacking energy: -246.247 Base-Backbone interact. energy: -2.982 local terms energy: -278.382471 where: bonds (distance) C4'-P energy: -61.867 bonds (distance) P-C4' energy: -54.756 flat angles C4'-P-C4' energy: -61.887 flat angles P-C4'-P energy: -39.401 tors. eta vs tors. theta energy: -60.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -826.928624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.928624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.928624 (E_RNA) where: Base-Base interactions energy: -530.683 where: short stacking energy: -250.463 Base-Backbone interact. energy: -0.607 local terms energy: -295.638851 where: bonds (distance) C4'-P energy: -57.236 bonds (distance) P-C4' energy: -57.147 flat angles C4'-P-C4' energy: -64.753 flat angles P-C4'-P energy: -47.102 tors. eta vs tors. theta energy: -69.402 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: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -734.413194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.413194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.413194 (E_RNA) where: Base-Base interactions energy: -494.176 where: short stacking energy: -220.678 Base-Backbone interact. energy: -0.184 local terms energy: -240.053794 where: bonds (distance) C4'-P energy: -36.498 bonds (distance) P-C4' energy: -60.566 flat angles C4'-P-C4' energy: -58.042 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -44.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -643.120367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.120367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.120367 (E_RNA) where: Base-Base interactions energy: -421.535 where: short stacking energy: -178.718 Base-Backbone interact. energy: 0.189 local terms energy: -221.774201 where: bonds (distance) C4'-P energy: -52.733 bonds (distance) P-C4' energy: -51.665 flat angles C4'-P-C4' energy: -53.049 flat angles P-C4'-P energy: -34.365 tors. eta vs tors. theta energy: -29.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -546.555484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.555484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.555484 (E_RNA) where: Base-Base interactions energy: -327.618 where: short stacking energy: -151.605 Base-Backbone interact. energy: -1.114 local terms energy: -217.823471 where: bonds (distance) C4'-P energy: -52.746 bonds (distance) P-C4' energy: -66.374 flat angles C4'-P-C4' energy: -36.108 flat angles P-C4'-P energy: -40.393 tors. eta vs tors. theta energy: -22.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -282.240605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.240605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.240605 (E_RNA) where: Base-Base interactions energy: -110.347 where: short stacking energy: -84.493 Base-Backbone interact. energy: 0.102 local terms energy: -171.994964 where: bonds (distance) C4'-P energy: -49.028 bonds (distance) P-C4' energy: -51.796 flat angles C4'-P-C4' energy: -47.902 flat angles P-C4'-P energy: -21.613 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -303.923801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.923801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.923801 (E_RNA) where: Base-Base interactions energy: -113.258 where: short stacking energy: -72.467 Base-Backbone interact. energy: 1.614 local terms energy: -192.280410 where: bonds (distance) C4'-P energy: -45.490 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -44.595 flat angles P-C4'-P energy: -36.328 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1049.600680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.600680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.600680 (E_RNA) where: Base-Base interactions energy: -712.158 where: short stacking energy: -312.851 Base-Backbone interact. energy: -1.314 local terms energy: -336.128447 where: bonds (distance) C4'-P energy: -61.229 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -72.493 flat angles P-C4'-P energy: -49.936 tors. eta vs tors. theta energy: -84.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -963.376475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.376475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.376475 (E_RNA) where: Base-Base interactions energy: -653.173 where: short stacking energy: -287.688 Base-Backbone interact. energy: -1.100 local terms energy: -309.103564 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -60.168 flat angles C4'-P-C4' energy: -75.172 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -70.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -933.345860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.345860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.345860 (E_RNA) where: Base-Base interactions energy: -605.283 where: short stacking energy: -304.109 Base-Backbone interact. energy: -1.565 local terms energy: -326.497727 where: bonds (distance) C4'-P energy: -64.074 bonds (distance) P-C4' energy: -59.679 flat angles C4'-P-C4' energy: -62.073 flat angles P-C4'-P energy: -46.364 tors. eta vs tors. theta energy: -94.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -901.270569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.270569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.270569 (E_RNA) where: Base-Base interactions energy: -601.412 where: short stacking energy: -258.392 Base-Backbone interact. energy: -1.513 local terms energy: -298.345279 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -64.018 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -67.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -819.913015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.913015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.913015 (E_RNA) where: Base-Base interactions energy: -505.605 where: short stacking energy: -225.603 Base-Backbone interact. energy: -1.442 local terms energy: -312.865497 where: bonds (distance) C4'-P energy: -67.493 bonds (distance) P-C4' energy: -61.957 flat angles C4'-P-C4' energy: -69.444 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: -65.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -750.641999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.641999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.641999 (E_RNA) where: Base-Base interactions energy: -479.529 where: short stacking energy: -213.700 Base-Backbone interact. energy: -0.082 local terms energy: -271.030871 where: bonds (distance) C4'-P energy: -50.880 bonds (distance) P-C4' energy: -67.510 flat angles C4'-P-C4' energy: -59.911 flat angles P-C4'-P energy: -38.919 tors. eta vs tors. theta energy: -53.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -637.743360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.743360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.743360 (E_RNA) where: Base-Base interactions energy: -391.027 where: short stacking energy: -164.513 Base-Backbone interact. energy: 0.063 local terms energy: -246.779197 where: bonds (distance) C4'-P energy: -56.082 bonds (distance) P-C4' energy: -54.948 flat angles C4'-P-C4' energy: -63.406 flat angles P-C4'-P energy: -36.930 tors. eta vs tors. theta energy: -35.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -580.899375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.899375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.899375 (E_RNA) where: Base-Base interactions energy: -351.887 where: short stacking energy: -182.174 Base-Backbone interact. energy: -2.119 local terms energy: -226.894024 where: bonds (distance) C4'-P energy: -47.155 bonds (distance) P-C4' energy: -52.693 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -33.981 tors. eta vs tors. theta energy: -29.751 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: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -295.566364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.566364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.566364 (E_RNA) where: Base-Base interactions energy: -115.682 where: short stacking energy: -94.212 Base-Backbone interact. energy: 2.516 local terms energy: -182.399607 where: bonds (distance) C4'-P energy: -45.190 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -55.933 flat angles P-C4'-P energy: -26.781 tors. eta vs tors. theta energy: 5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -279.587390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.587390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.587390 (E_RNA) where: Base-Base interactions energy: -100.263 where: short stacking energy: -77.976 Base-Backbone interact. energy: 2.505 local terms energy: -181.829090 where: bonds (distance) C4'-P energy: -46.556 bonds (distance) P-C4' energy: -52.644 flat angles C4'-P-C4' energy: -52.753 flat angles P-C4'-P energy: -43.887 tors. eta vs tors. theta energy: 14.011 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: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1040.503496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.503496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.503496 (E_RNA) where: Base-Base interactions energy: -709.932 where: short stacking energy: -298.846 Base-Backbone interact. energy: -0.520 local terms energy: -330.051175 where: bonds (distance) C4'-P energy: -63.934 bonds (distance) P-C4' energy: -67.852 flat angles C4'-P-C4' energy: -71.317 flat angles P-C4'-P energy: -39.171 tors. eta vs tors. theta energy: -87.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1009.223262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.223262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.223262 (E_RNA) where: Base-Base interactions energy: -673.341 where: short stacking energy: -306.794 Base-Backbone interact. energy: -1.033 local terms energy: -334.848948 where: bonds (distance) C4'-P energy: -60.685 bonds (distance) P-C4' energy: -69.032 flat angles C4'-P-C4' energy: -74.669 flat angles P-C4'-P energy: -46.292 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -939.146740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.146740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.146740 (E_RNA) where: Base-Base interactions energy: -637.560 where: short stacking energy: -263.601 Base-Backbone interact. energy: -0.875 local terms energy: -300.711030 where: bonds (distance) C4'-P energy: -61.373 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -62.667 flat angles P-C4'-P energy: -39.707 tors. eta vs tors. theta energy: -69.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -909.086376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.086376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.086376 (E_RNA) where: Base-Base interactions energy: -585.063 where: short stacking energy: -276.278 Base-Backbone interact. energy: -1.280 local terms energy: -322.743551 where: bonds (distance) C4'-P energy: -61.913 bonds (distance) P-C4' energy: -57.723 flat angles C4'-P-C4' energy: -67.001 flat angles P-C4'-P energy: -50.784 tors. eta vs tors. theta energy: -85.322 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: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -807.138134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.138134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.138134 (E_RNA) where: Base-Base interactions energy: -518.643 where: short stacking energy: -239.642 Base-Backbone interact. energy: -0.933 local terms energy: -287.562689 where: bonds (distance) C4'-P energy: -49.974 bonds (distance) P-C4' energy: -56.456 flat angles C4'-P-C4' energy: -66.087 flat angles P-C4'-P energy: -44.383 tors. eta vs tors. theta energy: -70.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -734.380463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.380463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.380463 (E_RNA) where: Base-Base interactions energy: -483.779 where: short stacking energy: -222.577 Base-Backbone interact. energy: -0.767 local terms energy: -249.834329 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -49.985 flat angles C4'-P-C4' energy: -54.972 flat angles P-C4'-P energy: -28.854 tors. eta vs tors. theta energy: -49.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -611.960944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.960944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.960944 (E_RNA) where: Base-Base interactions energy: -355.575 where: short stacking energy: -157.270 Base-Backbone interact. energy: -2.916 local terms energy: -253.470345 where: bonds (distance) C4'-P energy: -53.397 bonds (distance) P-C4' energy: -59.673 flat angles C4'-P-C4' energy: -52.940 flat angles P-C4'-P energy: -44.823 tors. eta vs tors. theta energy: -42.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -574.196044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.196044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.196044 (E_RNA) where: Base-Base interactions energy: -343.640 where: short stacking energy: -181.182 Base-Backbone interact. energy: -0.303 local terms energy: -230.253044 where: bonds (distance) C4'-P energy: -60.157 bonds (distance) P-C4' energy: -58.875 flat angles C4'-P-C4' energy: -48.383 flat angles P-C4'-P energy: -33.828 tors. eta vs tors. theta energy: -29.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -308.740611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.740611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.740611 (E_RNA) where: Base-Base interactions energy: -108.045 where: short stacking energy: -82.906 Base-Backbone interact. energy: -2.035 local terms energy: -198.661240 where: bonds (distance) C4'-P energy: -65.790 bonds (distance) P-C4' energy: -56.637 flat angles C4'-P-C4' energy: -40.693 flat angles P-C4'-P energy: -29.397 tors. eta vs tors. theta energy: -6.144 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: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -291.250324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.250324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.250324 (E_RNA) where: Base-Base interactions energy: -95.890 where: short stacking energy: -90.185 Base-Backbone interact. energy: 3.568 local terms energy: -198.928145 where: bonds (distance) C4'-P energy: -60.541 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -45.713 flat angles P-C4'-P energy: -25.388 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1038.482391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.482391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.482391 (E_RNA) where: Base-Base interactions energy: -708.029 where: short stacking energy: -291.415 Base-Backbone interact. energy: -1.133 local terms energy: -329.319992 where: bonds (distance) C4'-P energy: -65.449 bonds (distance) P-C4' energy: -65.229 flat angles C4'-P-C4' energy: -74.571 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -79.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -992.501839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.501839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.501839 (E_RNA) where: Base-Base interactions energy: -666.709 where: short stacking energy: -293.002 Base-Backbone interact. energy: -1.191 local terms energy: -324.602558 where: bonds (distance) C4'-P energy: -68.815 bonds (distance) P-C4' energy: -67.733 flat angles C4'-P-C4' energy: -70.286 flat angles P-C4'-P energy: -47.771 tors. eta vs tors. theta energy: -69.998 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: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -923.508844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.508844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.508844 (E_RNA) where: Base-Base interactions energy: -630.976 where: short stacking energy: -260.934 Base-Backbone interact. energy: -1.292 local terms energy: -291.241433 where: bonds (distance) C4'-P energy: -61.238 bonds (distance) P-C4' energy: -62.453 flat angles C4'-P-C4' energy: -59.906 flat angles P-C4'-P energy: -35.109 tors. eta vs tors. theta energy: -72.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -899.881198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.881198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.881198 (E_RNA) where: Base-Base interactions energy: -591.657 where: short stacking energy: -287.175 Base-Backbone interact. energy: -2.346 local terms energy: -305.878536 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -70.611 flat angles P-C4'-P energy: -47.550 tors. eta vs tors. theta energy: -81.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -832.142345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.142345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.142345 (E_RNA) where: Base-Base interactions energy: -534.456 where: short stacking energy: -255.793 Base-Backbone interact. energy: -2.015 local terms energy: -295.671841 where: bonds (distance) C4'-P energy: -50.208 bonds (distance) P-C4' energy: -60.284 flat angles C4'-P-C4' energy: -65.324 flat angles P-C4'-P energy: -50.542 tors. eta vs tors. theta energy: -69.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -759.292057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.292057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.292057 (E_RNA) where: Base-Base interactions energy: -485.701 where: short stacking energy: -205.425 Base-Backbone interact. energy: -0.910 local terms energy: -272.680796 where: bonds (distance) C4'-P energy: -39.347 bonds (distance) P-C4' energy: -73.866 flat angles C4'-P-C4' energy: -61.309 flat angles P-C4'-P energy: -40.594 tors. eta vs tors. theta energy: -57.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -621.967316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.967316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.967316 (E_RNA) where: Base-Base interactions energy: -376.152 where: short stacking energy: -171.246 Base-Backbone interact. energy: -1.397 local terms energy: -244.417936 where: bonds (distance) C4'-P energy: -58.572 bonds (distance) P-C4' energy: -65.811 flat angles C4'-P-C4' energy: -59.256 flat angles P-C4'-P energy: -22.886 tors. eta vs tors. theta energy: -37.893 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: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -599.728888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.728888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.728888 (E_RNA) where: Base-Base interactions energy: -379.518 where: short stacking energy: -172.794 Base-Backbone interact. energy: 0.878 local terms energy: -221.088551 where: bonds (distance) C4'-P energy: -52.109 bonds (distance) P-C4' energy: -55.050 flat angles C4'-P-C4' energy: -51.189 flat angles P-C4'-P energy: -27.327 tors. eta vs tors. theta energy: -35.413 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: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -366.243596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.243596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.243596 (E_RNA) where: Base-Base interactions energy: -160.869 where: short stacking energy: -106.321 Base-Backbone interact. energy: -0.523 local terms energy: -204.851669 where: bonds (distance) C4'-P energy: -64.431 bonds (distance) P-C4' energy: -53.533 flat angles C4'-P-C4' energy: -40.077 flat angles P-C4'-P energy: -33.675 tors. eta vs tors. theta energy: -13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -254.678720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.678720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.678720 (E_RNA) where: Base-Base interactions energy: -72.718 where: short stacking energy: -62.315 Base-Backbone interact. energy: -1.160 local terms energy: -180.800631 where: bonds (distance) C4'-P energy: -42.250 bonds (distance) P-C4' energy: -65.138 flat angles C4'-P-C4' energy: -40.571 flat angles P-C4'-P energy: -34.072 tors. eta vs tors. theta energy: 1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1063.765874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.765874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.765874 (E_RNA) where: Base-Base interactions energy: -717.795 where: short stacking energy: -324.292 Base-Backbone interact. energy: -0.512 local terms energy: -345.458847 where: bonds (distance) C4'-P energy: -71.024 bonds (distance) P-C4' energy: -59.191 flat angles C4'-P-C4' energy: -69.146 flat angles P-C4'-P energy: -52.739 tors. eta vs tors. theta energy: -93.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -999.609896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.609896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.609896 (E_RNA) where: Base-Base interactions energy: -672.596 where: short stacking energy: -304.595 Base-Backbone interact. energy: -1.331 local terms energy: -325.683165 where: bonds (distance) C4'-P energy: -64.503 bonds (distance) P-C4' energy: -65.255 flat angles C4'-P-C4' energy: -64.269 flat angles P-C4'-P energy: -43.772 tors. eta vs tors. theta energy: -87.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -931.250883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.250883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.250883 (E_RNA) where: Base-Base interactions energy: -603.081 where: short stacking energy: -274.205 Base-Backbone interact. energy: -1.910 local terms energy: -326.260321 where: bonds (distance) C4'-P energy: -69.931 bonds (distance) P-C4' energy: -67.401 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -38.628 tors. eta vs tors. theta energy: -77.576 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: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -880.935082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.935082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.935082 (E_RNA) where: Base-Base interactions energy: -568.357 where: short stacking energy: -259.323 Base-Backbone interact. energy: -2.348 local terms energy: -310.230393 where: bonds (distance) C4'-P energy: -62.420 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -75.634 flat angles P-C4'-P energy: -34.483 tors. eta vs tors. theta energy: -78.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -819.424998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.424998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.424998 (E_RNA) where: Base-Base interactions energy: -545.531 where: short stacking energy: -241.973 Base-Backbone interact. energy: 0.055 local terms energy: -273.949804 where: bonds (distance) C4'-P energy: -58.058 bonds (distance) P-C4' energy: -54.655 flat angles C4'-P-C4' energy: -60.115 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -55.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -748.611049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.611049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.611049 (E_RNA) where: Base-Base interactions energy: -484.404 where: short stacking energy: -222.651 Base-Backbone interact. energy: -1.031 local terms energy: -263.175829 where: bonds (distance) C4'-P energy: -45.154 bonds (distance) P-C4' energy: -61.891 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -36.786 tors. eta vs tors. theta energy: -54.695 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: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -603.425372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.425372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.425372 (E_RNA) where: Base-Base interactions energy: -367.243 where: short stacking energy: -161.063 Base-Backbone interact. energy: -0.120 local terms energy: -236.061982 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -56.956 flat angles C4'-P-C4' energy: -64.402 flat angles P-C4'-P energy: -28.489 tors. eta vs tors. theta energy: -29.373 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: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -592.151418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.151418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.151418 (E_RNA) where: Base-Base interactions energy: -365.187 where: short stacking energy: -162.508 Base-Backbone interact. energy: -1.340 local terms energy: -225.624648 where: bonds (distance) C4'-P energy: -57.070 bonds (distance) P-C4' energy: -66.131 flat angles C4'-P-C4' energy: -49.362 flat angles P-C4'-P energy: -25.162 tors. eta vs tors. theta energy: -27.900 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: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -352.123232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.123232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.123232 (E_RNA) where: Base-Base interactions energy: -141.447 where: short stacking energy: -93.295 Base-Backbone interact. energy: 0.427 local terms energy: -211.103181 where: bonds (distance) C4'-P energy: -60.098 bonds (distance) P-C4' energy: -65.810 flat angles C4'-P-C4' energy: -48.857 flat angles P-C4'-P energy: -31.240 tors. eta vs tors. theta energy: -5.098 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: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -263.700884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.700884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.700884 (E_RNA) where: Base-Base interactions energy: -92.228 where: short stacking energy: -87.675 Base-Backbone interact. energy: 1.741 local terms energy: -173.213394 where: bonds (distance) C4'-P energy: -57.918 bonds (distance) P-C4' energy: -56.397 flat angles C4'-P-C4' energy: -41.330 flat angles P-C4'-P energy: -27.259 tors. eta vs tors. theta energy: 9.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1066.591509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.591509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.591509 (E_RNA) where: Base-Base interactions energy: -718.874 where: short stacking energy: -303.521 Base-Backbone interact. energy: 2.302 local terms energy: -350.019300 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -71.218 flat angles C4'-P-C4' energy: -70.934 flat angles P-C4'-P energy: -50.416 tors. eta vs tors. theta energy: -90.295 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: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1006.996620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.996620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.996620 (E_RNA) where: Base-Base interactions energy: -673.211 where: short stacking energy: -292.711 Base-Backbone interact. energy: -0.714 local terms energy: -333.071396 where: bonds (distance) C4'-P energy: -64.038 bonds (distance) P-C4' energy: -63.222 flat angles C4'-P-C4' energy: -70.435 flat angles P-C4'-P energy: -51.588 tors. eta vs tors. theta energy: -83.789 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: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -956.526507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.526507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.526507 (E_RNA) where: Base-Base interactions energy: -634.836 where: short stacking energy: -272.251 Base-Backbone interact. energy: -2.611 local terms energy: -319.079570 where: bonds (distance) C4'-P energy: -68.904 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -72.663 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: -69.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -853.254456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.254456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.254456 (E_RNA) where: Base-Base interactions energy: -552.287 where: short stacking energy: -272.410 Base-Backbone interact. energy: -2.056 local terms energy: -298.911754 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -51.720 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: -73.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -808.443357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.443357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.443357 (E_RNA) where: Base-Base interactions energy: -533.906 where: short stacking energy: -236.660 Base-Backbone interact. energy: 0.428 local terms energy: -274.965248 where: bonds (distance) C4'-P energy: -55.276 bonds (distance) P-C4' energy: -62.035 flat angles C4'-P-C4' energy: -66.654 flat angles P-C4'-P energy: -34.569 tors. eta vs tors. theta energy: -56.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -730.731408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.731408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.731408 (E_RNA) where: Base-Base interactions energy: -485.854 where: short stacking energy: -219.922 Base-Backbone interact. energy: -0.871 local terms energy: -244.006349 where: bonds (distance) C4'-P energy: -48.553 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -53.700 flat angles P-C4'-P energy: -22.927 tors. eta vs tors. theta energy: -56.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -647.527623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.527623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.527623 (E_RNA) where: Base-Base interactions energy: -410.486 where: short stacking energy: -193.254 Base-Backbone interact. energy: 6.159 local terms energy: -243.200043 where: bonds (distance) C4'-P energy: -62.720 bonds (distance) P-C4' energy: -54.400 flat angles C4'-P-C4' energy: -54.133 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -29.414 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: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -539.438393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.438393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.438393 (E_RNA) where: Base-Base interactions energy: -320.613 where: short stacking energy: -143.297 Base-Backbone interact. energy: -3.229 local terms energy: -215.596508 where: bonds (distance) C4'-P energy: -56.307 bonds (distance) P-C4' energy: -43.952 flat angles C4'-P-C4' energy: -54.031 flat angles P-C4'-P energy: -40.572 tors. eta vs tors. theta energy: -20.734 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: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -305.512098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.512098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.512098 (E_RNA) where: Base-Base interactions energy: -130.545 where: short stacking energy: -88.394 Base-Backbone interact. energy: 0.261 local terms energy: -175.228029 where: bonds (distance) C4'-P energy: -57.730 bonds (distance) P-C4' energy: -47.817 flat angles C4'-P-C4' energy: -39.209 flat angles P-C4'-P energy: -28.888 tors. eta vs tors. theta energy: -1.584 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: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -269.839657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.839657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.839657 (E_RNA) where: Base-Base interactions energy: -85.112 where: short stacking energy: -73.523 Base-Backbone interact. energy: -0.596 local terms energy: -184.131160 where: bonds (distance) C4'-P energy: -57.798 bonds (distance) P-C4' energy: -54.695 flat angles C4'-P-C4' energy: -52.551 flat angles P-C4'-P energy: -21.437 tors. eta vs tors. theta energy: 2.350 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: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1069.077925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.077925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.077925 (E_RNA) where: Base-Base interactions energy: -726.170 where: short stacking energy: -310.709 Base-Backbone interact. energy: -1.804 local terms energy: -341.103970 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -71.826 flat angles C4'-P-C4' energy: -71.902 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -88.893 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: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -996.524483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.524483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.524483 (E_RNA) where: Base-Base interactions energy: -676.603 where: short stacking energy: -291.267 Base-Backbone interact. energy: -0.582 local terms energy: -319.339607 where: bonds (distance) C4'-P energy: -54.272 bonds (distance) P-C4' energy: -61.033 flat angles C4'-P-C4' energy: -76.349 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -87.127 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: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -921.933113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.933113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.933113 (E_RNA) where: Base-Base interactions energy: -618.616 where: short stacking energy: -261.831 Base-Backbone interact. energy: -1.210 local terms energy: -302.107458 where: bonds (distance) C4'-P energy: -70.105 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -64.258 flat angles P-C4'-P energy: -42.075 tors. eta vs tors. theta energy: -63.300 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: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -852.147419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.147419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.147419 (E_RNA) where: Base-Base interactions energy: -542.563 where: short stacking energy: -265.666 Base-Backbone interact. energy: -1.973 local terms energy: -307.611206 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -62.521 flat angles C4'-P-C4' energy: -60.165 flat angles P-C4'-P energy: -47.484 tors. eta vs tors. theta energy: -76.456 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: 120 Temperature: 1.100000 Total energy: -832.120301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.120301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.120301 (E_RNA) where: Base-Base interactions energy: -528.782 where: short stacking energy: -252.272 Base-Backbone interact. energy: 0.833 local terms energy: -304.170621 where: bonds (distance) C4'-P energy: -63.600 bonds (distance) P-C4' energy: -60.503 flat angles C4'-P-C4' energy: -65.087 flat angles P-C4'-P energy: -43.688 tors. eta vs tors. theta energy: -71.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -768.368483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.368483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.368483 (E_RNA) where: Base-Base interactions energy: -497.969 where: short stacking energy: -221.929 Base-Backbone interact. energy: -1.531 local terms energy: -268.868738 where: bonds (distance) C4'-P energy: -55.893 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -58.657 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: -58.248 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: 120 Temperature: 1.200000 Total energy: -611.061637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.061637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.061637 (E_RNA) where: Base-Base interactions energy: -396.021 where: short stacking energy: -188.906 Base-Backbone interact. energy: 3.256 local terms energy: -218.296478 where: bonds (distance) C4'-P energy: -47.844 bonds (distance) P-C4' energy: -49.255 flat angles C4'-P-C4' energy: -50.795 flat angles P-C4'-P energy: -40.696 tors. eta vs tors. theta energy: -29.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -522.983910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.983910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.983910 (E_RNA) where: Base-Base interactions energy: -309.169 where: short stacking energy: -142.919 Base-Backbone interact. energy: -0.416 local terms energy: -213.398706 where: bonds (distance) C4'-P energy: -58.396 bonds (distance) P-C4' energy: -54.781 flat angles C4'-P-C4' energy: -58.795 flat angles P-C4'-P energy: -20.585 tors. eta vs tors. theta energy: -20.842 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: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -291.942193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.942193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.942193 (E_RNA) where: Base-Base interactions energy: -111.879 where: short stacking energy: -96.069 Base-Backbone interact. energy: -2.139 local terms energy: -177.923753 where: bonds (distance) C4'-P energy: -57.147 bonds (distance) P-C4' energy: -51.021 flat angles C4'-P-C4' energy: -43.144 flat angles P-C4'-P energy: -30.866 tors. eta vs tors. theta energy: 4.255 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: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -288.501903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.501903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.501903 (E_RNA) where: Base-Base interactions energy: -128.503 where: short stacking energy: -80.481 Base-Backbone interact. energy: 6.350 local terms energy: -166.348297 where: bonds (distance) C4'-P energy: -50.227 bonds (distance) P-C4' energy: -50.223 flat angles C4'-P-C4' energy: -41.970 flat angles P-C4'-P energy: -26.494 tors. eta vs tors. theta energy: 2.566 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: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1049.050069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.050069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.050069 (E_RNA) where: Base-Base interactions energy: -742.265 where: short stacking energy: -300.100 Base-Backbone interact. energy: -0.250 local terms energy: -306.534242 where: bonds (distance) C4'-P energy: -62.502 bonds (distance) P-C4' energy: -63.771 flat angles C4'-P-C4' energy: -65.672 flat angles P-C4'-P energy: -36.574 tors. eta vs tors. theta energy: -78.015 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: 121 Temperature: 0.950000 Total energy: -1000.212155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.212155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.212155 (E_RNA) where: Base-Base interactions energy: -666.056 where: short stacking energy: -314.421 Base-Backbone interact. energy: -0.998 local terms energy: -333.158224 where: bonds (distance) C4'-P energy: -65.774 bonds (distance) P-C4' energy: -64.023 flat angles C4'-P-C4' energy: -71.576 flat angles P-C4'-P energy: -42.573 tors. eta vs tors. theta energy: -89.213 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: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -920.791641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.791641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.791641 (E_RNA) where: Base-Base interactions energy: -618.914 where: short stacking energy: -273.074 Base-Backbone interact. energy: -1.855 local terms energy: -300.022104 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -51.629 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -47.694 tors. eta vs tors. theta energy: -76.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -861.708416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.708416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.708416 (E_RNA) where: Base-Base interactions energy: -541.706 where: short stacking energy: -239.314 Base-Backbone interact. energy: -1.239 local terms energy: -318.763240 where: bonds (distance) C4'-P energy: -64.614 bonds (distance) P-C4' energy: -70.612 flat angles C4'-P-C4' energy: -63.437 flat angles P-C4'-P energy: -52.679 tors. eta vs tors. theta energy: -67.422 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: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -833.507453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.507453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.507453 (E_RNA) where: Base-Base interactions energy: -541.806 where: short stacking energy: -241.743 Base-Backbone interact. energy: -0.927 local terms energy: -290.775081 where: bonds (distance) C4'-P energy: -68.064 bonds (distance) P-C4' energy: -62.314 flat angles C4'-P-C4' energy: -66.883 flat angles P-C4'-P energy: -37.320 tors. eta vs tors. theta energy: -56.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -793.231008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.231008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.231008 (E_RNA) where: Base-Base interactions energy: -515.479 where: short stacking energy: -247.749 Base-Backbone interact. energy: -1.567 local terms energy: -276.184683 where: bonds (distance) C4'-P energy: -41.721 bonds (distance) P-C4' energy: -66.840 flat angles C4'-P-C4' energy: -62.063 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -67.826 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: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -655.155960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.155960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.155960 (E_RNA) where: Base-Base interactions energy: -415.664 where: short stacking energy: -194.294 Base-Backbone interact. energy: 1.483 local terms energy: -240.975349 where: bonds (distance) C4'-P energy: -51.378 bonds (distance) P-C4' energy: -67.854 flat angles C4'-P-C4' energy: -48.184 flat angles P-C4'-P energy: -37.438 tors. eta vs tors. theta energy: -36.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -569.169087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.169087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.169087 (E_RNA) where: Base-Base interactions energy: -355.950 where: short stacking energy: -159.177 Base-Backbone interact. energy: 1.737 local terms energy: -214.955778 where: bonds (distance) C4'-P energy: -55.354 bonds (distance) P-C4' energy: -58.325 flat angles C4'-P-C4' energy: -46.630 flat angles P-C4'-P energy: -25.620 tors. eta vs tors. theta energy: -29.026 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: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -316.806510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.806510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.806510 (E_RNA) where: Base-Base interactions energy: -147.504 where: short stacking energy: -87.912 Base-Backbone interact. energy: -0.154 local terms energy: -169.148515 where: bonds (distance) C4'-P energy: -53.626 bonds (distance) P-C4' energy: -57.293 flat angles C4'-P-C4' energy: -34.046 flat angles P-C4'-P energy: -33.573 tors. eta vs tors. theta energy: 9.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -323.012021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.012021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.012021 (E_RNA) where: Base-Base interactions energy: -135.909 where: short stacking energy: -78.545 Base-Backbone interact. energy: -2.443 local terms energy: -184.659485 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -39.545 flat angles P-C4'-P energy: -37.368 tors. eta vs tors. theta energy: 5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1047.688528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.688528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.688528 (E_RNA) where: Base-Base interactions energy: -711.626 where: short stacking energy: -293.627 Base-Backbone interact. energy: -1.942 local terms energy: -334.120084 where: bonds (distance) C4'-P energy: -64.200 bonds (distance) P-C4' energy: -78.035 flat angles C4'-P-C4' energy: -68.186 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -76.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -982.403399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.403399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.403399 (E_RNA) where: Base-Base interactions energy: -656.180 where: short stacking energy: -293.264 Base-Backbone interact. energy: -1.230 local terms energy: -324.993783 where: bonds (distance) C4'-P energy: -70.368 bonds (distance) P-C4' energy: -59.042 flat angles C4'-P-C4' energy: -70.847 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -80.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -917.770311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.770311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.770311 (E_RNA) where: Base-Base interactions energy: -614.504 where: short stacking energy: -261.104 Base-Backbone interact. energy: -1.943 local terms energy: -301.323270 where: bonds (distance) C4'-P energy: -62.707 bonds (distance) P-C4' energy: -53.317 flat angles C4'-P-C4' energy: -63.252 flat angles P-C4'-P energy: -49.783 tors. eta vs tors. theta energy: -72.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -825.710144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.710144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.710144 (E_RNA) where: Base-Base interactions energy: -538.269 where: short stacking energy: -262.101 Base-Backbone interact. energy: -1.363 local terms energy: -286.077551 where: bonds (distance) C4'-P energy: -63.981 bonds (distance) P-C4' energy: -58.676 flat angles C4'-P-C4' energy: -50.174 flat angles P-C4'-P energy: -36.991 tors. eta vs tors. theta energy: -76.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -819.575936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.575936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.575936 (E_RNA) where: Base-Base interactions energy: -531.850 where: short stacking energy: -249.793 Base-Backbone interact. energy: -0.559 local terms energy: -287.167088 where: bonds (distance) C4'-P energy: -46.403 bonds (distance) P-C4' energy: -58.977 flat angles C4'-P-C4' energy: -68.502 flat angles P-C4'-P energy: -43.168 tors. eta vs tors. theta energy: -70.117 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: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -764.649402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.649402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.649402 (E_RNA) where: Base-Base interactions energy: -476.719 where: short stacking energy: -213.430 Base-Backbone interact. energy: 1.442 local terms energy: -289.371662 where: bonds (distance) C4'-P energy: -63.546 bonds (distance) P-C4' energy: -53.216 flat angles C4'-P-C4' energy: -63.270 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -66.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -676.585624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.585624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.585624 (E_RNA) where: Base-Base interactions energy: -431.013 where: short stacking energy: -199.726 Base-Backbone interact. energy: 1.805 local terms energy: -247.377276 where: bonds (distance) C4'-P energy: -55.025 bonds (distance) P-C4' energy: -52.342 flat angles C4'-P-C4' energy: -60.325 flat angles P-C4'-P energy: -33.080 tors. eta vs tors. theta energy: -46.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -483.764076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.764076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.764076 (E_RNA) where: Base-Base interactions energy: -271.155 where: short stacking energy: -139.742 Base-Backbone interact. energy: -2.377 local terms energy: -210.231952 where: bonds (distance) C4'-P energy: -42.512 bonds (distance) P-C4' energy: -45.419 flat angles C4'-P-C4' energy: -57.107 flat angles P-C4'-P energy: -43.912 tors. eta vs tors. theta energy: -21.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -289.885591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.885591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.885591 (E_RNA) where: Base-Base interactions energy: -123.006 where: short stacking energy: -84.517 Base-Backbone interact. energy: -0.706 local terms energy: -166.173700 where: bonds (distance) C4'-P energy: -61.773 bonds (distance) P-C4' energy: -52.126 flat angles C4'-P-C4' energy: -26.370 flat angles P-C4'-P energy: -30.975 tors. eta vs tors. theta energy: 5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -270.101294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.101294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.101294 (E_RNA) where: Base-Base interactions energy: -113.055 where: short stacking energy: -88.351 Base-Backbone interact. energy: -2.913 local terms energy: -154.133416 where: bonds (distance) C4'-P energy: -51.452 bonds (distance) P-C4' energy: -48.586 flat angles C4'-P-C4' energy: -37.731 flat angles P-C4'-P energy: -29.713 tors. eta vs tors. theta energy: 13.349 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: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1065.269046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.269046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.269046 (E_RNA) where: Base-Base interactions energy: -727.759 where: short stacking energy: -290.893 Base-Backbone interact. energy: -2.882 local terms energy: -334.627517 where: bonds (distance) C4'-P energy: -66.646 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -65.997 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -83.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -987.802218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.802218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.802218 (E_RNA) where: Base-Base interactions energy: -660.039 where: short stacking energy: -304.362 Base-Backbone interact. energy: -0.594 local terms energy: -327.168872 where: bonds (distance) C4'-P energy: -55.248 bonds (distance) P-C4' energy: -66.391 flat angles C4'-P-C4' energy: -76.328 flat angles P-C4'-P energy: -49.796 tors. eta vs tors. theta energy: -79.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -936.801681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.801681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.801681 (E_RNA) where: Base-Base interactions energy: -621.177 where: short stacking energy: -270.365 Base-Backbone interact. energy: -4.017 local terms energy: -311.607602 where: bonds (distance) C4'-P energy: -56.891 bonds (distance) P-C4' energy: -58.819 flat angles C4'-P-C4' energy: -73.739 flat angles P-C4'-P energy: -47.087 tors. eta vs tors. theta energy: -75.071 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: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -802.437582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.437582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.437582 (E_RNA) where: Base-Base interactions energy: -510.577 where: short stacking energy: -250.643 Base-Backbone interact. energy: -1.419 local terms energy: -290.440900 where: bonds (distance) C4'-P energy: -60.462 bonds (distance) P-C4' energy: -54.547 flat angles C4'-P-C4' energy: -59.387 flat angles P-C4'-P energy: -47.223 tors. eta vs tors. theta energy: -68.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -820.906550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.906550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.906550 (E_RNA) where: Base-Base interactions energy: -537.955 where: short stacking energy: -228.733 Base-Backbone interact. energy: -0.630 local terms energy: -282.321522 where: bonds (distance) C4'-P energy: -58.581 bonds (distance) P-C4' energy: -63.152 flat angles C4'-P-C4' energy: -57.744 flat angles P-C4'-P energy: -40.024 tors. eta vs tors. theta energy: -62.821 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: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -750.358231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.358231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.358231 (E_RNA) where: Base-Base interactions energy: -490.737 where: short stacking energy: -211.730 Base-Backbone interact. energy: 0.049 local terms energy: -259.670080 where: bonds (distance) C4'-P energy: -52.431 bonds (distance) P-C4' energy: -65.351 flat angles C4'-P-C4' energy: -56.689 flat angles P-C4'-P energy: -32.772 tors. eta vs tors. theta energy: -52.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -675.216406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.216406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.216406 (E_RNA) where: Base-Base interactions energy: -407.043 where: short stacking energy: -182.103 Base-Backbone interact. energy: -0.993 local terms energy: -267.180019 where: bonds (distance) C4'-P energy: -48.134 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -63.811 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: -48.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -523.641826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.641826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.641826 (E_RNA) where: Base-Base interactions energy: -312.884 where: short stacking energy: -137.256 Base-Backbone interact. energy: 2.632 local terms energy: -213.389558 where: bonds (distance) C4'-P energy: -57.384 bonds (distance) P-C4' energy: -71.982 flat angles C4'-P-C4' energy: -34.224 flat angles P-C4'-P energy: -38.742 tors. eta vs tors. theta energy: -11.058 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: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -291.350610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.350610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.350610 (E_RNA) where: Base-Base interactions energy: -101.545 where: short stacking energy: -75.605 Base-Backbone interact. energy: -0.192 local terms energy: -189.613670 where: bonds (distance) C4'-P energy: -53.699 bonds (distance) P-C4' energy: -50.818 flat angles C4'-P-C4' energy: -57.033 flat angles P-C4'-P energy: -31.972 tors. eta vs tors. theta energy: 3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -265.506935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.506935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.506935 (E_RNA) where: Base-Base interactions energy: -88.547 where: short stacking energy: -72.917 Base-Backbone interact. energy: -1.002 local terms energy: -175.958083 where: bonds (distance) C4'-P energy: -65.365 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -42.178 flat angles P-C4'-P energy: -25.906 tors. eta vs tors. theta energy: 14.389 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: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1066.270114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.270114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.270114 (E_RNA) where: Base-Base interactions energy: -735.320 where: short stacking energy: -306.187 Base-Backbone interact. energy: -1.955 local terms energy: -328.994552 where: bonds (distance) C4'-P energy: -68.007 bonds (distance) P-C4' energy: -69.242 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -38.139 tors. eta vs tors. theta energy: -82.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -980.998371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.998371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.998371 (E_RNA) where: Base-Base interactions energy: -663.175 where: short stacking energy: -284.600 Base-Backbone interact. energy: -0.382 local terms energy: -317.441245 where: bonds (distance) C4'-P energy: -62.679 bonds (distance) P-C4' energy: -66.623 flat angles C4'-P-C4' energy: -68.966 flat angles P-C4'-P energy: -48.846 tors. eta vs tors. theta energy: -70.328 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: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -924.055818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.055818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.055818 (E_RNA) where: Base-Base interactions energy: -624.604 where: short stacking energy: -247.749 Base-Backbone interact. energy: 4.013 local terms energy: -303.465472 where: bonds (distance) C4'-P energy: -66.949 bonds (distance) P-C4' energy: -62.765 flat angles C4'-P-C4' energy: -74.815 flat angles P-C4'-P energy: -30.074 tors. eta vs tors. theta energy: -68.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -803.409917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.409917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.409917 (E_RNA) where: Base-Base interactions energy: -503.826 where: short stacking energy: -253.274 Base-Backbone interact. energy: -1.151 local terms energy: -298.432583 where: bonds (distance) C4'-P energy: -63.628 bonds (distance) P-C4' energy: -55.310 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -48.555 tors. eta vs tors. theta energy: -64.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -821.000569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.000569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.000569 (E_RNA) where: Base-Base interactions energy: -539.646 where: short stacking energy: -224.934 Base-Backbone interact. energy: 0.684 local terms energy: -282.037916 where: bonds (distance) C4'-P energy: -60.622 bonds (distance) P-C4' energy: -50.870 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -33.929 tors. eta vs tors. theta energy: -72.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -743.852195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.852195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.852195 (E_RNA) where: Base-Base interactions energy: -470.952 where: short stacking energy: -213.765 Base-Backbone interact. energy: -1.656 local terms energy: -271.243895 where: bonds (distance) C4'-P energy: -46.038 bonds (distance) P-C4' energy: -64.649 flat angles C4'-P-C4' energy: -61.444 flat angles P-C4'-P energy: -41.589 tors. eta vs tors. theta energy: -57.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -695.281236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.281236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.281236 (E_RNA) where: Base-Base interactions energy: -458.219 where: short stacking energy: -207.950 Base-Backbone interact. energy: -1.895 local terms energy: -235.166975 where: bonds (distance) C4'-P energy: -42.844 bonds (distance) P-C4' energy: -54.508 flat angles C4'-P-C4' energy: -64.404 flat angles P-C4'-P energy: -32.576 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: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -536.828801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.828801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.828801 (E_RNA) where: Base-Base interactions energy: -326.106 where: short stacking energy: -143.012 Base-Backbone interact. energy: 0.291 local terms energy: -211.013756 where: bonds (distance) C4'-P energy: -48.845 bonds (distance) P-C4' energy: -58.236 flat angles C4'-P-C4' energy: -56.645 flat angles P-C4'-P energy: -31.568 tors. eta vs tors. theta energy: -15.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -277.369222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.369222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.369222 (E_RNA) where: Base-Base interactions energy: -115.923 where: short stacking energy: -99.724 Base-Backbone interact. energy: -0.113 local terms energy: -161.332728 where: bonds (distance) C4'-P energy: -44.132 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -44.031 flat angles P-C4'-P energy: -27.418 tors. eta vs tors. theta energy: 13.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -269.483818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.483818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.483818 (E_RNA) where: Base-Base interactions energy: -109.939 where: short stacking energy: -84.013 Base-Backbone interact. energy: -0.075 local terms energy: -159.470389 where: bonds (distance) C4'-P energy: -44.860 bonds (distance) P-C4' energy: -58.714 flat angles C4'-P-C4' energy: -43.601 flat angles P-C4'-P energy: -25.203 tors. eta vs tors. theta energy: 12.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1063.876173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.876173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.876173 (E_RNA) where: Base-Base interactions energy: -726.880 where: short stacking energy: -302.064 Base-Backbone interact. energy: 0.052 local terms energy: -337.049015 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -69.037 flat angles C4'-P-C4' energy: -76.163 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: -81.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -968.549765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.549765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.549765 (E_RNA) where: Base-Base interactions energy: -630.910 where: short stacking energy: -273.290 Base-Backbone interact. energy: -1.684 local terms energy: -335.956389 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -73.239 flat angles C4'-P-C4' energy: -77.151 flat angles P-C4'-P energy: -56.377 tors. eta vs tors. theta energy: -72.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -946.942522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.942522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.942522 (E_RNA) where: Base-Base interactions energy: -652.588 where: short stacking energy: -280.746 Base-Backbone interact. energy: -0.574 local terms energy: -293.779854 where: bonds (distance) C4'-P energy: -61.728 bonds (distance) P-C4' energy: -57.113 flat angles C4'-P-C4' energy: -65.784 flat angles P-C4'-P energy: -32.880 tors. eta vs tors. theta energy: -76.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -883.353174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.353174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.353174 (E_RNA) where: Base-Base interactions energy: -568.683 where: short stacking energy: -255.756 Base-Backbone interact. energy: 0.014 local terms energy: -314.683856 where: bonds (distance) C4'-P energy: -64.285 bonds (distance) P-C4' energy: -64.153 flat angles C4'-P-C4' energy: -69.083 flat angles P-C4'-P energy: -50.520 tors. eta vs tors. theta energy: -66.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -789.884710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.884710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.884710 (E_RNA) where: Base-Base interactions energy: -492.628 where: short stacking energy: -242.430 Base-Backbone interact. energy: 0.883 local terms energy: -298.139869 where: bonds (distance) C4'-P energy: -49.614 bonds (distance) P-C4' energy: -67.049 flat angles C4'-P-C4' energy: -66.342 flat angles P-C4'-P energy: -48.517 tors. eta vs tors. theta energy: -66.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -754.276486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.276486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.276486 (E_RNA) where: Base-Base interactions energy: -503.327 where: short stacking energy: -202.486 Base-Backbone interact. energy: 0.189 local terms energy: -251.137957 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -53.394 flat angles C4'-P-C4' energy: -59.230 flat angles P-C4'-P energy: -39.419 tors. eta vs tors. theta energy: -39.706 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: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -688.686757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.686757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.686757 (E_RNA) where: Base-Base interactions energy: -453.672 where: short stacking energy: -183.246 Base-Backbone interact. energy: -0.600 local terms energy: -234.414362 where: bonds (distance) C4'-P energy: -50.851 bonds (distance) P-C4' energy: -51.037 flat angles C4'-P-C4' energy: -59.182 flat angles P-C4'-P energy: -33.635 tors. eta vs tors. theta energy: -39.709 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: 8, replica: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -506.717908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.717908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.717908 (E_RNA) where: Base-Base interactions energy: -293.547 where: short stacking energy: -133.895 Base-Backbone interact. energy: -0.707 local terms energy: -212.464541 where: bonds (distance) C4'-P energy: -52.983 bonds (distance) P-C4' energy: -57.369 flat angles C4'-P-C4' energy: -64.906 flat angles P-C4'-P energy: -26.520 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: 8 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -294.720789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.720789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.720789 (E_RNA) where: Base-Base interactions energy: -97.689 where: short stacking energy: -71.115 Base-Backbone interact. energy: -1.284 local terms energy: -195.747717 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -62.216 flat angles C4'-P-C4' energy: -45.566 flat angles P-C4'-P energy: -35.697 tors. eta vs tors. theta energy: 9.658 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -305.601455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.601455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.601455 (E_RNA) where: Base-Base interactions energy: -127.869 where: short stacking energy: -80.512 Base-Backbone interact. energy: -3.960 local terms energy: -173.772405 where: bonds (distance) C4'-P energy: -54.843 bonds (distance) P-C4' energy: -56.529 flat angles C4'-P-C4' energy: -43.719 flat angles P-C4'-P energy: -26.193 tors. eta vs tors. theta energy: 7.513 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: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1058.157513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.157513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.157513 (E_RNA) where: Base-Base interactions energy: -747.646 where: short stacking energy: -309.132 Base-Backbone interact. energy: -2.832 local terms energy: -307.678836 where: bonds (distance) C4'-P energy: -54.040 bonds (distance) P-C4' energy: -62.965 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -41.543 tors. eta vs tors. theta energy: -76.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -969.523569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.523569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.523569 (E_RNA) where: Base-Base interactions energy: -653.158 where: short stacking energy: -279.177 Base-Backbone interact. energy: -0.339 local terms energy: -316.027017 where: bonds (distance) C4'-P energy: -62.059 bonds (distance) P-C4' energy: -56.687 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -53.575 tors. eta vs tors. theta energy: -73.677 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: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -966.342046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.342046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.342046 (E_RNA) where: Base-Base interactions energy: -652.898 where: short stacking energy: -286.140 Base-Backbone interact. energy: -0.157 local terms energy: -313.286547 where: bonds (distance) C4'-P energy: -59.115 bonds (distance) P-C4' energy: -65.277 flat angles C4'-P-C4' energy: -70.035 flat angles P-C4'-P energy: -39.405 tors. eta vs tors. theta energy: -79.453 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: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -919.633654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.633654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.633654 (E_RNA) where: Base-Base interactions energy: -591.843 where: short stacking energy: -282.536 Base-Backbone interact. energy: -0.712 local terms energy: -327.078243 where: bonds (distance) C4'-P energy: -64.813 bonds (distance) P-C4' energy: -65.056 flat angles C4'-P-C4' energy: -72.057 flat angles P-C4'-P energy: -46.872 tors. eta vs tors. theta energy: -78.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -761.859588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.859588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.859588 (E_RNA) where: Base-Base interactions energy: -476.559 where: short stacking energy: -233.429 Base-Backbone interact. energy: 1.164 local terms energy: -286.464386 where: bonds (distance) C4'-P energy: -67.080 bonds (distance) P-C4' energy: -60.956 flat angles C4'-P-C4' energy: -58.736 flat angles P-C4'-P energy: -39.275 tors. eta vs tors. theta energy: -60.418 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: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -763.300755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.300755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.300755 (E_RNA) where: Base-Base interactions energy: -479.616 where: short stacking energy: -214.949 Base-Backbone interact. energy: 0.979 local terms energy: -284.663064 where: bonds (distance) C4'-P energy: -61.659 bonds (distance) P-C4' energy: -74.591 flat angles C4'-P-C4' energy: -61.712 flat angles P-C4'-P energy: -34.179 tors. eta vs tors. theta energy: -52.521 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: 126 Temperature: 1.200000 Total energy: -731.065071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.065071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.065071 (E_RNA) where: Base-Base interactions energy: -480.065 where: short stacking energy: -223.017 Base-Backbone interact. energy: -0.763 local terms energy: -250.237499 where: bonds (distance) C4'-P energy: -56.700 bonds (distance) P-C4' energy: -54.935 flat angles C4'-P-C4' energy: -59.360 flat angles P-C4'-P energy: -28.424 tors. eta vs tors. theta energy: -50.818 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: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -490.481140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.481140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.481140 (E_RNA) where: Base-Base interactions energy: -288.547 where: short stacking energy: -136.637 Base-Backbone interact. energy: -0.514 local terms energy: -201.420232 where: bonds (distance) C4'-P energy: -57.147 bonds (distance) P-C4' energy: -47.858 flat angles C4'-P-C4' energy: -51.301 flat angles P-C4'-P energy: -29.980 tors. eta vs tors. theta energy: -15.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -296.959313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.959313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.959313 (E_RNA) where: Base-Base interactions energy: -127.506 where: short stacking energy: -80.552 Base-Backbone interact. energy: 0.162 local terms energy: -169.616013 where: bonds (distance) C4'-P energy: -45.787 bonds (distance) P-C4' energy: -51.906 flat angles C4'-P-C4' energy: -47.032 flat angles P-C4'-P energy: -29.603 tors. eta vs tors. theta energy: 4.711 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: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -261.058084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.058084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.058084 (E_RNA) where: Base-Base interactions energy: -101.572 where: short stacking energy: -79.414 Base-Backbone interact. energy: -1.479 local terms energy: -158.007086 where: bonds (distance) C4'-P energy: -53.292 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -27.659 flat angles P-C4'-P energy: -32.844 tors. eta vs tors. theta energy: 18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1063.325362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.325362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.325362 (E_RNA) where: Base-Base interactions energy: -735.540 where: short stacking energy: -294.434 Base-Backbone interact. energy: -3.539 local terms energy: -324.245942 where: bonds (distance) C4'-P energy: -62.371 bonds (distance) P-C4' energy: -57.587 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -48.505 tors. eta vs tors. theta energy: -84.094 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: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -954.635898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.635898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.635898 (E_RNA) where: Base-Base interactions energy: -639.427 where: short stacking energy: -264.468 Base-Backbone interact. energy: -1.704 local terms energy: -313.505021 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -59.554 flat angles C4'-P-C4' energy: -68.032 flat angles P-C4'-P energy: -45.748 tors. eta vs tors. theta energy: -81.888 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: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -960.403616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.403616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.403616 (E_RNA) where: Base-Base interactions energy: -648.699 where: short stacking energy: -282.094 Base-Backbone interact. energy: -1.106 local terms energy: -310.598651 where: bonds (distance) C4'-P energy: -66.278 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -70.091 flat angles P-C4'-P energy: -32.247 tors. eta vs tors. theta energy: -80.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -928.334961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.334961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.334961 (E_RNA) where: Base-Base interactions energy: -616.690 where: short stacking energy: -272.280 Base-Backbone interact. energy: -1.203 local terms energy: -310.441634 where: bonds (distance) C4'-P energy: -56.355 bonds (distance) P-C4' energy: -61.319 flat angles C4'-P-C4' energy: -74.063 flat angles P-C4'-P energy: -38.578 tors. eta vs tors. theta energy: -80.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -807.038103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.038103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.038103 (E_RNA) where: Base-Base interactions energy: -512.561 where: short stacking energy: -247.434 Base-Backbone interact. energy: -0.304 local terms energy: -294.174045 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -66.767 flat angles C4'-P-C4' energy: -64.268 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -70.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -751.153526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.153526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.153526 (E_RNA) where: Base-Base interactions energy: -485.642 where: short stacking energy: -220.448 Base-Backbone interact. energy: -0.525 local terms energy: -264.986671 where: bonds (distance) C4'-P energy: -56.539 bonds (distance) P-C4' energy: -62.092 flat angles C4'-P-C4' energy: -55.418 flat angles P-C4'-P energy: -38.079 tors. eta vs tors. theta energy: -52.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -710.712336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.712336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.712336 (E_RNA) where: Base-Base interactions energy: -454.876 where: short stacking energy: -201.530 Base-Backbone interact. energy: 1.281 local terms energy: -257.117335 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -58.380 flat angles C4'-P-C4' energy: -57.668 flat angles P-C4'-P energy: -35.629 tors. eta vs tors. theta energy: -46.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -437.340094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.340094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.340094 (E_RNA) where: Base-Base interactions energy: -230.546 where: short stacking energy: -133.598 Base-Backbone interact. energy: 0.204 local terms energy: -206.998648 where: bonds (distance) C4'-P energy: -47.799 bonds (distance) P-C4' energy: -54.209 flat angles C4'-P-C4' energy: -51.641 flat angles P-C4'-P energy: -39.894 tors. eta vs tors. theta energy: -13.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -363.987397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.987397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.987397 (E_RNA) where: Base-Base interactions energy: -165.800 where: short stacking energy: -109.504 Base-Backbone interact. energy: 0.089 local terms energy: -198.276127 where: bonds (distance) C4'-P energy: -47.980 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -50.300 flat angles P-C4'-P energy: -26.431 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -295.860500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.860500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.860500 (E_RNA) where: Base-Base interactions energy: -119.312 where: short stacking energy: -72.262 Base-Backbone interact. energy: 2.320 local terms energy: -178.868581 where: bonds (distance) C4'-P energy: -52.151 bonds (distance) P-C4' energy: -59.513 flat angles C4'-P-C4' energy: -55.253 flat angles P-C4'-P energy: -24.490 tors. eta vs tors. theta energy: 12.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1060.039337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.039337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.039337 (E_RNA) where: Base-Base interactions energy: -728.543 where: short stacking energy: -303.629 Base-Backbone interact. energy: -0.576 local terms energy: -330.920570 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -54.947 flat angles C4'-P-C4' energy: -75.863 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: -86.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -945.762942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.762942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.762942 (E_RNA) where: Base-Base interactions energy: -639.200 where: short stacking energy: -272.835 Base-Backbone interact. energy: 0.867 local terms energy: -307.430201 where: bonds (distance) C4'-P energy: -63.353 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -69.681 flat angles P-C4'-P energy: -38.144 tors. eta vs tors. theta energy: -72.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -942.136899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.136899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.136899 (E_RNA) where: Base-Base interactions energy: -623.656 where: short stacking energy: -281.058 Base-Backbone interact. energy: -0.965 local terms energy: -317.516663 where: bonds (distance) C4'-P energy: -59.883 bonds (distance) P-C4' energy: -61.532 flat angles C4'-P-C4' energy: -67.953 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: -76.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -889.396207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.396207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.396207 (E_RNA) where: Base-Base interactions energy: -590.150 where: short stacking energy: -283.112 Base-Backbone interact. energy: 4.116 local terms energy: -303.362455 where: bonds (distance) C4'-P energy: -57.471 bonds (distance) P-C4' energy: -66.408 flat angles C4'-P-C4' energy: -67.951 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -74.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -781.785799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.785799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.785799 (E_RNA) where: Base-Base interactions energy: -498.006 where: short stacking energy: -222.695 Base-Backbone interact. energy: -1.014 local terms energy: -282.765936 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -54.055 flat angles C4'-P-C4' energy: -59.358 flat angles P-C4'-P energy: -45.625 tors. eta vs tors. theta energy: -60.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -747.173182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.173182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.173182 (E_RNA) where: Base-Base interactions energy: -469.130 where: short stacking energy: -217.887 Base-Backbone interact. energy: -0.112 local terms energy: -277.931507 where: bonds (distance) C4'-P energy: -64.429 bonds (distance) P-C4' energy: -50.709 flat angles C4'-P-C4' energy: -66.466 flat angles P-C4'-P energy: -36.486 tors. eta vs tors. theta energy: -59.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -703.011288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.011288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.011288 (E_RNA) where: Base-Base interactions energy: -468.044 where: short stacking energy: -216.253 Base-Backbone interact. energy: -0.709 local terms energy: -234.257311 where: bonds (distance) C4'-P energy: -42.961 bonds (distance) P-C4' energy: -45.156 flat angles C4'-P-C4' energy: -57.108 flat angles P-C4'-P energy: -40.694 tors. eta vs tors. theta energy: -48.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -456.506832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.506832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.506832 (E_RNA) where: Base-Base interactions energy: -245.572 where: short stacking energy: -147.624 Base-Backbone interact. energy: -0.496 local terms energy: -210.438178 where: bonds (distance) C4'-P energy: -49.842 bonds (distance) P-C4' energy: -62.311 flat angles C4'-P-C4' energy: -50.370 flat angles P-C4'-P energy: -33.404 tors. eta vs tors. theta energy: -14.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -322.483453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.483453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.483453 (E_RNA) where: Base-Base interactions energy: -125.962 where: short stacking energy: -112.181 Base-Backbone interact. energy: 0.242 local terms energy: -196.764007 where: bonds (distance) C4'-P energy: -54.501 bonds (distance) P-C4' energy: -53.268 flat angles C4'-P-C4' energy: -54.566 flat angles P-C4'-P energy: -29.999 tors. eta vs tors. theta energy: -4.430 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: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -309.258942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.258942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.258942 (E_RNA) where: Base-Base interactions energy: -131.119 where: short stacking energy: -87.229 Base-Backbone interact. energy: 0.102 local terms energy: -178.242100 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -57.136 flat angles C4'-P-C4' energy: -41.169 flat angles P-C4'-P energy: -23.288 tors. eta vs tors. theta energy: 1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1069.972656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.972656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.972656 (E_RNA) where: Base-Base interactions energy: -742.742 where: short stacking energy: -309.137 Base-Backbone interact. energy: -0.751 local terms energy: -326.479443 where: bonds (distance) C4'-P energy: -50.666 bonds (distance) P-C4' energy: -64.242 flat angles C4'-P-C4' energy: -74.126 flat angles P-C4'-P energy: -54.755 tors. eta vs tors. theta energy: -82.690 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: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -985.803959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.803959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.803959 (E_RNA) where: Base-Base interactions energy: -660.049 where: short stacking energy: -296.702 Base-Backbone interact. energy: -0.756 local terms energy: -324.999620 where: bonds (distance) C4'-P energy: -54.512 bonds (distance) P-C4' energy: -62.373 flat angles C4'-P-C4' energy: -79.648 flat angles P-C4'-P energy: -42.153 tors. eta vs tors. theta energy: -86.314 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: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -922.455429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.455429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.455429 (E_RNA) where: Base-Base interactions energy: -633.649 where: short stacking energy: -266.891 Base-Backbone interact. energy: -0.842 local terms energy: -287.963527 where: bonds (distance) C4'-P energy: -54.612 bonds (distance) P-C4' energy: -60.157 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -39.475 tors. eta vs tors. theta energy: -64.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -878.397905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.397905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.397905 (E_RNA) where: Base-Base interactions energy: -577.956 where: short stacking energy: -265.546 Base-Backbone interact. energy: -0.227 local terms energy: -300.215588 where: bonds (distance) C4'-P energy: -59.639 bonds (distance) P-C4' energy: -68.847 flat angles C4'-P-C4' energy: -64.917 flat angles P-C4'-P energy: -36.145 tors. eta vs tors. theta energy: -70.666 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: 129 Temperature: 1.100000 Total energy: -798.297845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.297845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.297845 (E_RNA) where: Base-Base interactions energy: -508.551 where: short stacking energy: -235.166 Base-Backbone interact. energy: -0.348 local terms energy: -289.399548 where: bonds (distance) C4'-P energy: -62.141 bonds (distance) P-C4' energy: -53.460 flat angles C4'-P-C4' energy: -62.086 flat angles P-C4'-P energy: -44.176 tors. eta vs tors. theta energy: -67.536 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: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -728.681159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.681159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.681159 (E_RNA) where: Base-Base interactions energy: -465.880 where: short stacking energy: -209.625 Base-Backbone interact. energy: -0.589 local terms energy: -262.212044 where: bonds (distance) C4'-P energy: -52.414 bonds (distance) P-C4' energy: -69.888 flat angles C4'-P-C4' energy: -62.521 flat angles P-C4'-P energy: -29.970 tors. eta vs tors. theta energy: -47.418 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: 129 Temperature: 1.200000 Total energy: -719.943222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.943222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.943222 (E_RNA) where: Base-Base interactions energy: -482.588 where: short stacking energy: -190.823 Base-Backbone interact. energy: -1.333 local terms energy: -236.021629 where: bonds (distance) C4'-P energy: -52.064 bonds (distance) P-C4' energy: -48.827 flat angles C4'-P-C4' energy: -47.886 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -51.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -454.004490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.004490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.004490 (E_RNA) where: Base-Base interactions energy: -242.247 where: short stacking energy: -139.940 Base-Backbone interact. energy: -0.943 local terms energy: -210.814174 where: bonds (distance) C4'-P energy: -57.622 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -52.692 flat angles P-C4'-P energy: -20.909 tors. eta vs tors. theta energy: -14.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -279.148668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.148668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.148668 (E_RNA) where: Base-Base interactions energy: -78.097 where: short stacking energy: -70.322 Base-Backbone interact. energy: -0.626 local terms energy: -200.425231 where: bonds (distance) C4'-P energy: -63.379 bonds (distance) P-C4' energy: -52.909 flat angles C4'-P-C4' energy: -59.433 flat angles P-C4'-P energy: -23.134 tors. eta vs tors. theta energy: -1.570 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: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -265.503614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.503614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.503614 (E_RNA) where: Base-Base interactions energy: -75.176 where: short stacking energy: -73.150 Base-Backbone interact. energy: 0.139 local terms energy: -190.465732 where: bonds (distance) C4'-P energy: -56.405 bonds (distance) P-C4' energy: -58.898 flat angles C4'-P-C4' energy: -55.074 flat angles P-C4'-P energy: -34.435 tors. eta vs tors. theta energy: 14.346 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: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1074.387188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.387188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.387188 (E_RNA) where: Base-Base interactions energy: -740.279 where: short stacking energy: -309.658 Base-Backbone interact. energy: 0.381 local terms energy: -334.489697 where: bonds (distance) C4'-P energy: -68.828 bonds (distance) P-C4' energy: -59.595 flat angles C4'-P-C4' energy: -71.687 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -90.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -985.998792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.998792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.998792 (E_RNA) where: Base-Base interactions energy: -655.882 where: short stacking energy: -291.631 Base-Backbone interact. energy: -1.560 local terms energy: -328.556435 where: bonds (distance) C4'-P energy: -65.965 bonds (distance) P-C4' energy: -67.303 flat angles C4'-P-C4' energy: -71.769 flat angles P-C4'-P energy: -49.543 tors. eta vs tors. theta energy: -73.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -923.428618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.428618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.428618 (E_RNA) where: Base-Base interactions energy: -603.359 where: short stacking energy: -289.804 Base-Backbone interact. energy: -1.463 local terms energy: -318.606877 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -72.490 flat angles C4'-P-C4' energy: -60.013 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -71.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -908.968181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.968181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.968181 (E_RNA) where: Base-Base interactions energy: -611.114 where: short stacking energy: -240.655 Base-Backbone interact. energy: -2.144 local terms energy: -295.710428 where: bonds (distance) C4'-P energy: -67.010 bonds (distance) P-C4' energy: -66.193 flat angles C4'-P-C4' energy: -64.246 flat angles P-C4'-P energy: -31.589 tors. eta vs tors. theta energy: -66.673 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: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -849.598522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.598522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.598522 (E_RNA) where: Base-Base interactions energy: -561.073 where: short stacking energy: -262.142 Base-Backbone interact. energy: 1.870 local terms energy: -290.395430 where: bonds (distance) C4'-P energy: -46.228 bonds (distance) P-C4' energy: -57.145 flat angles C4'-P-C4' energy: -63.155 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: -81.105 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: 130 Temperature: 1.150000 Total energy: -739.341239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.341239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.341239 (E_RNA) where: Base-Base interactions energy: -483.546 where: short stacking energy: -215.904 Base-Backbone interact. energy: 2.153 local terms energy: -257.947859 where: bonds (distance) C4'-P energy: -49.608 bonds (distance) P-C4' energy: -59.679 flat angles C4'-P-C4' energy: -46.347 flat angles P-C4'-P energy: -45.323 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: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -738.520160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.520160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.520160 (E_RNA) where: Base-Base interactions energy: -476.143 where: short stacking energy: -187.323 Base-Backbone interact. energy: -0.885 local terms energy: -261.492362 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -55.528 flat angles P-C4'-P energy: -28.962 tors. eta vs tors. theta energy: -52.912 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: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -468.048201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.048201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.048201 (E_RNA) where: Base-Base interactions energy: -237.204 where: short stacking energy: -144.201 Base-Backbone interact. energy: -1.516 local terms energy: -229.327875 where: bonds (distance) C4'-P energy: -61.421 bonds (distance) P-C4' energy: -57.240 flat angles C4'-P-C4' energy: -55.069 flat angles P-C4'-P energy: -26.109 tors. eta vs tors. theta energy: -29.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -284.312401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.312401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.312401 (E_RNA) where: Base-Base interactions energy: -85.926 where: short stacking energy: -73.253 Base-Backbone interact. energy: -0.362 local terms energy: -198.024215 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -43.482 flat angles P-C4'-P energy: -36.544 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -266.387573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.387573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.387573 (E_RNA) where: Base-Base interactions energy: -107.378 where: short stacking energy: -78.695 Base-Backbone interact. energy: 1.191 local terms energy: -160.201421 where: bonds (distance) C4'-P energy: -44.417 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -49.622 flat angles P-C4'-P energy: -16.856 tors. eta vs tors. theta energy: 11.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1055.546019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.546019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.546019 (E_RNA) where: Base-Base interactions energy: -723.992 where: short stacking energy: -296.747 Base-Backbone interact. energy: 3.769 local terms energy: -335.323254 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -73.272 flat angles C4'-P-C4' energy: -72.834 flat angles P-C4'-P energy: -46.096 tors. eta vs tors. theta energy: -85.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1000.196900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.196900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.196900 (E_RNA) where: Base-Base interactions energy: -682.138 where: short stacking energy: -305.681 Base-Backbone interact. energy: -0.769 local terms energy: -317.290073 where: bonds (distance) C4'-P energy: -57.010 bonds (distance) P-C4' energy: -62.300 flat angles C4'-P-C4' energy: -69.733 flat angles P-C4'-P energy: -47.136 tors. eta vs tors. theta energy: -81.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -928.156900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.156900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.156900 (E_RNA) where: Base-Base interactions energy: -614.556 where: short stacking energy: -284.215 Base-Backbone interact. energy: -1.964 local terms energy: -311.636498 where: bonds (distance) C4'-P energy: -48.317 bonds (distance) P-C4' energy: -69.645 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -48.915 tors. eta vs tors. theta energy: -74.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -914.504785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.504785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.504785 (E_RNA) where: Base-Base interactions energy: -615.024 where: short stacking energy: -256.088 Base-Backbone interact. energy: 0.958 local terms energy: -300.439235 where: bonds (distance) C4'-P energy: -48.039 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -75.177 flat angles P-C4'-P energy: -43.327 tors. eta vs tors. theta energy: -68.897 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: 131 Temperature: 1.100000 Total energy: -855.719447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.719447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.719447 (E_RNA) where: Base-Base interactions energy: -542.125 where: short stacking energy: -269.884 Base-Backbone interact. energy: 0.877 local terms energy: -314.471236 where: bonds (distance) C4'-P energy: -57.987 bonds (distance) P-C4' energy: -56.321 flat angles C4'-P-C4' energy: -73.800 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: -81.622 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: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -804.497244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.497244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.497244 (E_RNA) where: Base-Base interactions energy: -542.624 where: short stacking energy: -233.925 Base-Backbone interact. energy: 0.064 local terms energy: -261.937227 where: bonds (distance) C4'-P energy: -54.560 bonds (distance) P-C4' energy: -56.765 flat angles C4'-P-C4' energy: -50.799 flat angles P-C4'-P energy: -46.551 tors. eta vs tors. theta energy: -53.262 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: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -683.513619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.513619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.513619 (E_RNA) where: Base-Base interactions energy: -433.365 where: short stacking energy: -200.768 Base-Backbone interact. energy: -1.350 local terms energy: -248.798525 where: bonds (distance) C4'-P energy: -41.711 bonds (distance) P-C4' energy: -50.599 flat angles C4'-P-C4' energy: -61.673 flat angles P-C4'-P energy: -40.353 tors. eta vs tors. theta energy: -54.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -472.256529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.256529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.256529 (E_RNA) where: Base-Base interactions energy: -267.805 where: short stacking energy: -130.344 Base-Backbone interact. energy: 2.405 local terms energy: -206.856388 where: bonds (distance) C4'-P energy: -45.780 bonds (distance) P-C4' energy: -48.317 flat angles C4'-P-C4' energy: -56.513 flat angles P-C4'-P energy: -32.967 tors. eta vs tors. theta energy: -23.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -330.507838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.507838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.507838 (E_RNA) where: Base-Base interactions energy: -139.409 where: short stacking energy: -94.963 Base-Backbone interact. energy: -1.097 local terms energy: -190.001846 where: bonds (distance) C4'-P energy: -51.503 bonds (distance) P-C4' energy: -69.060 flat angles C4'-P-C4' energy: -48.159 flat angles P-C4'-P energy: -26.147 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: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -276.417462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.417462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.417462 (E_RNA) where: Base-Base interactions energy: -90.154 where: short stacking energy: -77.643 Base-Backbone interact. energy: -0.604 local terms energy: -185.659290 where: bonds (distance) C4'-P energy: -54.103 bonds (distance) P-C4' energy: -50.215 flat angles C4'-P-C4' energy: -61.529 flat angles P-C4'-P energy: -20.333 tors. eta vs tors. theta energy: 0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1060.999017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.999017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.999017 (E_RNA) where: Base-Base interactions energy: -742.006 where: short stacking energy: -295.112 Base-Backbone interact. energy: 0.917 local terms energy: -319.910373 where: bonds (distance) C4'-P energy: -67.673 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -58.710 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -89.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -994.816709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.816709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.816709 (E_RNA) where: Base-Base interactions energy: -659.882 where: short stacking energy: -320.698 Base-Backbone interact. energy: -1.706 local terms energy: -333.229179 where: bonds (distance) C4'-P energy: -62.829 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -72.027 flat angles P-C4'-P energy: -45.070 tors. eta vs tors. theta energy: -89.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -936.071620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.071620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.071620 (E_RNA) where: Base-Base interactions energy: -635.794 where: short stacking energy: -278.937 Base-Backbone interact. energy: 1.301 local terms energy: -301.578343 where: bonds (distance) C4'-P energy: -55.266 bonds (distance) P-C4' energy: -62.264 flat angles C4'-P-C4' energy: -71.874 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -72.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -870.316792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.316792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.316792 (E_RNA) where: Base-Base interactions energy: -558.998 where: short stacking energy: -255.437 Base-Backbone interact. energy: -1.071 local terms energy: -310.248441 where: bonds (distance) C4'-P energy: -60.127 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -59.001 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -73.182 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: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -844.701137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.701137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.701137 (E_RNA) where: Base-Base interactions energy: -556.692 where: short stacking energy: -245.043 Base-Backbone interact. energy: -1.985 local terms energy: -286.023616 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -64.012 flat angles C4'-P-C4' energy: -61.062 flat angles P-C4'-P energy: -41.364 tors. eta vs tors. theta energy: -61.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -788.972520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.972520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.972520 (E_RNA) where: Base-Base interactions energy: -516.166 where: short stacking energy: -238.400 Base-Backbone interact. energy: -3.133 local terms energy: -269.672820 where: bonds (distance) C4'-P energy: -51.691 bonds (distance) P-C4' energy: -38.628 flat angles C4'-P-C4' energy: -68.487 flat angles P-C4'-P energy: -45.868 tors. eta vs tors. theta energy: -64.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -668.907485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.907485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.907485 (E_RNA) where: Base-Base interactions energy: -438.410 where: short stacking energy: -195.930 Base-Backbone interact. energy: -0.360 local terms energy: -230.137727 where: bonds (distance) C4'-P energy: -45.410 bonds (distance) P-C4' energy: -60.052 flat angles C4'-P-C4' energy: -61.258 flat angles P-C4'-P energy: -28.158 tors. eta vs tors. theta energy: -35.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -499.355762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.355762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.355762 (E_RNA) where: Base-Base interactions energy: -299.287 where: short stacking energy: -146.725 Base-Backbone interact. energy: -0.331 local terms energy: -199.736985 where: bonds (distance) C4'-P energy: -43.771 bonds (distance) P-C4' energy: -49.991 flat angles C4'-P-C4' energy: -47.952 flat angles P-C4'-P energy: -37.068 tors. eta vs tors. theta energy: -20.956 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: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -306.669618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.669618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.669618 (E_RNA) where: Base-Base interactions energy: -125.536 where: short stacking energy: -97.476 Base-Backbone interact. energy: 3.339 local terms energy: -184.472784 where: bonds (distance) C4'-P energy: -64.079 bonds (distance) P-C4' energy: -52.635 flat angles C4'-P-C4' energy: -46.557 flat angles P-C4'-P energy: -23.112 tors. eta vs tors. theta energy: 1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -251.876342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.876342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.876342 (E_RNA) where: Base-Base interactions energy: -84.689 where: short stacking energy: -75.674 Base-Backbone interact. energy: -1.613 local terms energy: -165.574089 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -61.226 flat angles C4'-P-C4' energy: -35.897 flat angles P-C4'-P energy: -19.117 tors. eta vs tors. theta energy: 5.358 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: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1062.556292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.556292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.556292 (E_RNA) where: Base-Base interactions energy: -727.577 where: short stacking energy: -295.106 Base-Backbone interact. energy: -2.399 local terms energy: -332.580206 where: bonds (distance) C4'-P energy: -63.677 bonds (distance) P-C4' energy: -69.972 flat angles C4'-P-C4' energy: -65.815 flat angles P-C4'-P energy: -46.557 tors. eta vs tors. theta energy: -86.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -980.728774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.728774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.728774 (E_RNA) where: Base-Base interactions energy: -651.840 where: short stacking energy: -311.368 Base-Backbone interact. energy: -2.229 local terms energy: -326.659919 where: bonds (distance) C4'-P energy: -60.590 bonds (distance) P-C4' energy: -59.131 flat angles C4'-P-C4' energy: -72.396 flat angles P-C4'-P energy: -45.768 tors. eta vs tors. theta energy: -88.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -951.198254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.198254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.198254 (E_RNA) where: Base-Base interactions energy: -632.794 where: short stacking energy: -280.313 Base-Backbone interact. energy: 2.840 local terms energy: -321.243773 where: bonds (distance) C4'-P energy: -56.858 bonds (distance) P-C4' energy: -73.461 flat angles C4'-P-C4' energy: -66.846 flat angles P-C4'-P energy: -45.221 tors. eta vs tors. theta energy: -78.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -852.140089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.140089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.140089 (E_RNA) where: Base-Base interactions energy: -565.371 where: short stacking energy: -237.958 Base-Backbone interact. energy: -0.927 local terms energy: -285.842078 where: bonds (distance) C4'-P energy: -60.515 bonds (distance) P-C4' energy: -58.423 flat angles C4'-P-C4' energy: -61.398 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -61.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -826.105741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.105741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.105741 (E_RNA) where: Base-Base interactions energy: -548.720 where: short stacking energy: -245.334 Base-Backbone interact. energy: -2.120 local terms energy: -275.266004 where: bonds (distance) C4'-P energy: -58.282 bonds (distance) P-C4' energy: -63.972 flat angles C4'-P-C4' energy: -56.015 flat angles P-C4'-P energy: -40.800 tors. eta vs tors. theta energy: -56.196 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: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -731.079509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.079509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.079509 (E_RNA) where: Base-Base interactions energy: -465.461 where: short stacking energy: -218.820 Base-Backbone interact. energy: -0.842 local terms energy: -264.776289 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -29.308 tors. eta vs tors. theta energy: -56.816 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: 7, replica: 3 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -690.946096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.946096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.946096 (E_RNA) where: Base-Base interactions energy: -421.105 where: short stacking energy: -192.415 Base-Backbone interact. energy: 0.782 local terms energy: -270.623883 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -54.412 flat angles C4'-P-C4' energy: -65.119 flat angles P-C4'-P energy: -43.970 tors. eta vs tors. theta energy: -48.858 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: 133 Temperature: 1.250000 Total energy: -441.584000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.584000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.584000 (E_RNA) where: Base-Base interactions energy: -235.538 where: short stacking energy: -135.727 Base-Backbone interact. energy: 1.492 local terms energy: -207.538367 where: bonds (distance) C4'-P energy: -38.969 bonds (distance) P-C4' energy: -60.006 flat angles C4'-P-C4' energy: -49.215 flat angles P-C4'-P energy: -36.302 tors. eta vs tors. theta energy: -23.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -373.164819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.164819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.164819 (E_RNA) where: Base-Base interactions energy: -175.728 where: short stacking energy: -110.121 Base-Backbone interact. energy: -0.085 local terms energy: -197.351707 where: bonds (distance) C4'-P energy: -53.505 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -51.031 flat angles P-C4'-P energy: -32.692 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -262.769416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.769416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.769416 (E_RNA) where: Base-Base interactions energy: -87.084 where: short stacking energy: -72.369 Base-Backbone interact. energy: 5.322 local terms energy: -181.007251 where: bonds (distance) C4'-P energy: -54.389 bonds (distance) P-C4' energy: -52.212 flat angles C4'-P-C4' energy: -42.025 flat angles P-C4'-P energy: -37.796 tors. eta vs tors. theta energy: 5.415 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: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1073.157418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.157418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.157418 (E_RNA) where: Base-Base interactions energy: -756.070 where: short stacking energy: -308.200 Base-Backbone interact. energy: -1.850 local terms energy: -315.236780 where: bonds (distance) C4'-P energy: -57.491 bonds (distance) P-C4' energy: -62.783 flat angles C4'-P-C4' energy: -63.526 flat angles P-C4'-P energy: -43.041 tors. eta vs tors. theta energy: -88.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -969.982745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.982745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.982745 (E_RNA) where: Base-Base interactions energy: -647.671 where: short stacking energy: -272.272 Base-Backbone interact. energy: 1.182 local terms energy: -323.493488 where: bonds (distance) C4'-P energy: -65.576 bonds (distance) P-C4' energy: -67.578 flat angles C4'-P-C4' energy: -64.720 flat angles P-C4'-P energy: -47.844 tors. eta vs tors. theta energy: -77.775 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: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -968.279174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.279174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.279174 (E_RNA) where: Base-Base interactions energy: -650.240 where: short stacking energy: -296.756 Base-Backbone interact. energy: -0.140 local terms energy: -317.898879 where: bonds (distance) C4'-P energy: -56.369 bonds (distance) P-C4' energy: -63.935 flat angles C4'-P-C4' energy: -69.804 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -81.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -864.042911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.042911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.042911 (E_RNA) where: Base-Base interactions energy: -574.050 where: short stacking energy: -258.607 Base-Backbone interact. energy: 0.224 local terms energy: -290.217152 where: bonds (distance) C4'-P energy: -53.741 bonds (distance) P-C4' energy: -54.865 flat angles C4'-P-C4' energy: -64.173 flat angles P-C4'-P energy: -50.384 tors. eta vs tors. theta energy: -67.055 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: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -830.656290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.656290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.656290 (E_RNA) where: Base-Base interactions energy: -548.486 where: short stacking energy: -254.226 Base-Backbone interact. energy: 1.722 local terms energy: -283.893004 where: bonds (distance) C4'-P energy: -55.132 bonds (distance) P-C4' energy: -60.962 flat angles C4'-P-C4' energy: -54.470 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -73.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -706.474791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.474791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.474791 (E_RNA) where: Base-Base interactions energy: -450.281 where: short stacking energy: -232.279 Base-Backbone interact. energy: 1.771 local terms energy: -257.965247 where: bonds (distance) C4'-P energy: -45.531 bonds (distance) P-C4' energy: -66.032 flat angles C4'-P-C4' energy: -53.607 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: -51.382 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: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -723.069466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.069466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.069466 (E_RNA) where: Base-Base interactions energy: -456.995 where: short stacking energy: -206.749 Base-Backbone interact. energy: -1.255 local terms energy: -264.819985 where: bonds (distance) C4'-P energy: -47.634 bonds (distance) P-C4' energy: -56.686 flat angles C4'-P-C4' energy: -70.702 flat angles P-C4'-P energy: -38.577 tors. eta vs tors. theta energy: -51.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -404.504964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.504964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.504964 (E_RNA) where: Base-Base interactions energy: -187.603 where: short stacking energy: -123.538 Base-Backbone interact. energy: 1.022 local terms energy: -217.924203 where: bonds (distance) C4'-P energy: -56.194 bonds (distance) P-C4' energy: -61.082 flat angles C4'-P-C4' energy: -49.162 flat angles P-C4'-P energy: -31.541 tors. eta vs tors. theta energy: -19.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -357.681043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.681043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.681043 (E_RNA) where: Base-Base interactions energy: -169.577 where: short stacking energy: -103.503 Base-Backbone interact. energy: 1.601 local terms energy: -189.705521 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -56.483 flat angles C4'-P-C4' energy: -41.104 flat angles P-C4'-P energy: -22.480 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -275.815519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.815519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.815519 (E_RNA) where: Base-Base interactions energy: -107.954 where: short stacking energy: -90.758 Base-Backbone interact. energy: 3.667 local terms energy: -171.528950 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -53.654 flat angles C4'-P-C4' energy: -40.013 flat angles P-C4'-P energy: -23.538 tors. eta vs tors. theta energy: 9.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1063.173047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.173047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.173047 (E_RNA) where: Base-Base interactions energy: -737.004 where: short stacking energy: -315.272 Base-Backbone interact. energy: -0.931 local terms energy: -325.238293 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -65.768 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -47.429 tors. eta vs tors. theta energy: -82.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -979.418968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.418968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.418968 (E_RNA) where: Base-Base interactions energy: -648.418 where: short stacking energy: -281.095 Base-Backbone interact. energy: -1.603 local terms energy: -329.397645 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -59.862 flat angles C4'-P-C4' energy: -66.286 flat angles P-C4'-P energy: -54.712 tors. eta vs tors. theta energy: -85.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -967.293201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.293201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.293201 (E_RNA) where: Base-Base interactions energy: -651.635 where: short stacking energy: -304.178 Base-Backbone interact. energy: 3.255 local terms energy: -318.912928 where: bonds (distance) C4'-P energy: -57.991 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -68.450 flat angles P-C4'-P energy: -44.567 tors. eta vs tors. theta energy: -85.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -871.626745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.626745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.626745 (E_RNA) where: Base-Base interactions energy: -580.980 where: short stacking energy: -281.114 Base-Backbone interact. energy: -1.739 local terms energy: -288.907253 where: bonds (distance) C4'-P energy: -56.631 bonds (distance) P-C4' energy: -45.064 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -39.183 tors. eta vs tors. theta energy: -79.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -815.864387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.864387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.864387 (E_RNA) where: Base-Base interactions energy: -531.292 where: short stacking energy: -234.671 Base-Backbone interact. energy: -1.360 local terms energy: -283.213198 where: bonds (distance) C4'-P energy: -57.442 bonds (distance) P-C4' energy: -58.014 flat angles C4'-P-C4' energy: -66.478 flat angles P-C4'-P energy: -37.658 tors. eta vs tors. theta energy: -63.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -772.101944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.101944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.101944 (E_RNA) where: Base-Base interactions energy: -502.279 where: short stacking energy: -222.599 Base-Backbone interact. energy: -0.989 local terms energy: -268.834627 where: bonds (distance) C4'-P energy: -51.055 bonds (distance) P-C4' energy: -61.647 flat angles C4'-P-C4' energy: -63.531 flat angles P-C4'-P energy: -39.456 tors. eta vs tors. theta energy: -53.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -680.414555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.414555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.414555 (E_RNA) where: Base-Base interactions energy: -445.779 where: short stacking energy: -189.140 Base-Backbone interact. energy: -1.342 local terms energy: -233.293578 where: bonds (distance) C4'-P energy: -48.110 bonds (distance) P-C4' energy: -45.668 flat angles C4'-P-C4' energy: -54.949 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: -43.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -419.580834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.580834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.580834 (E_RNA) where: Base-Base interactions energy: -208.236 where: short stacking energy: -131.169 Base-Backbone interact. energy: -0.303 local terms energy: -211.042332 where: bonds (distance) C4'-P energy: -48.759 bonds (distance) P-C4' energy: -64.444 flat angles C4'-P-C4' energy: -52.323 flat angles P-C4'-P energy: -33.527 tors. eta vs tors. theta energy: -11.988 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: 8 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -383.542659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.542659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.542659 (E_RNA) where: Base-Base interactions energy: -183.356 where: short stacking energy: -107.219 Base-Backbone interact. energy: -0.086 local terms energy: -200.100120 where: bonds (distance) C4'-P energy: -49.171 bonds (distance) P-C4' energy: -59.432 flat angles C4'-P-C4' energy: -55.192 flat angles P-C4'-P energy: -30.418 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -270.753516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.753516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.753516 (E_RNA) where: Base-Base interactions energy: -92.316 where: short stacking energy: -76.952 Base-Backbone interact. energy: -2.045 local terms energy: -176.391954 where: bonds (distance) C4'-P energy: -50.753 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -42.788 flat angles P-C4'-P energy: -35.147 tors. eta vs tors. theta energy: 12.040 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: 136 Temperature: 0.900000 Total energy: -1062.988487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.988487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.988487 (E_RNA) where: Base-Base interactions energy: -729.791 where: short stacking energy: -293.118 Base-Backbone interact. energy: -1.482 local terms energy: -331.715120 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -71.039 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -47.414 tors. eta vs tors. theta energy: -78.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1019.075860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.075860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.075860 (E_RNA) where: Base-Base interactions energy: -698.027 where: short stacking energy: -300.314 Base-Backbone interact. energy: -0.404 local terms energy: -320.644497 where: bonds (distance) C4'-P energy: -57.019 bonds (distance) P-C4' energy: -65.074 flat angles C4'-P-C4' energy: -67.452 flat angles P-C4'-P energy: -50.823 tors. eta vs tors. theta energy: -80.276 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: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -973.968549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.968549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.968549 (E_RNA) where: Base-Base interactions energy: -654.576 where: short stacking energy: -291.301 Base-Backbone interact. energy: -0.625 local terms energy: -318.766984 where: bonds (distance) C4'-P energy: -60.272 bonds (distance) P-C4' energy: -62.692 flat angles C4'-P-C4' energy: -61.117 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -85.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -850.608363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.608363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.608363 (E_RNA) where: Base-Base interactions energy: -549.117 where: short stacking energy: -266.249 Base-Backbone interact. energy: -1.492 local terms energy: -299.999464 where: bonds (distance) C4'-P energy: -61.259 bonds (distance) P-C4' energy: -56.615 flat angles C4'-P-C4' energy: -65.970 flat angles P-C4'-P energy: -35.566 tors. eta vs tors. theta energy: -80.588 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: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -783.453642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.453642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.453642 (E_RNA) where: Base-Base interactions energy: -502.909 where: short stacking energy: -225.086 Base-Backbone interact. energy: 0.086 local terms energy: -280.630378 where: bonds (distance) C4'-P energy: -67.140 bonds (distance) P-C4' energy: -47.074 flat angles C4'-P-C4' energy: -64.582 flat angles P-C4'-P energy: -43.644 tors. eta vs tors. theta energy: -58.191 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: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -786.888218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.888218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.888218 (E_RNA) where: Base-Base interactions energy: -502.453 where: short stacking energy: -218.441 Base-Backbone interact. energy: -0.908 local terms energy: -283.527641 where: bonds (distance) C4'-P energy: -59.221 bonds (distance) P-C4' energy: -60.769 flat angles C4'-P-C4' energy: -62.722 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -59.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -675.484627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.484627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.484627 (E_RNA) where: Base-Base interactions energy: -420.581 where: short stacking energy: -200.098 Base-Backbone interact. energy: -0.347 local terms energy: -254.556049 where: bonds (distance) C4'-P energy: -49.704 bonds (distance) P-C4' energy: -64.670 flat angles C4'-P-C4' energy: -64.432 flat angles P-C4'-P energy: -35.459 tors. eta vs tors. theta energy: -40.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -408.077995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.077995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.077995 (E_RNA) where: Base-Base interactions energy: -207.965 where: short stacking energy: -115.882 Base-Backbone interact. energy: 0.139 local terms energy: -200.251645 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -58.767 flat angles C4'-P-C4' energy: -48.307 flat angles P-C4'-P energy: -28.129 tors. eta vs tors. theta energy: -4.413 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: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -344.865072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.865072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.865072 (E_RNA) where: Base-Base interactions energy: -156.028 where: short stacking energy: -97.051 Base-Backbone interact. energy: -0.293 local terms energy: -188.543915 where: bonds (distance) C4'-P energy: -57.545 bonds (distance) P-C4' energy: -49.576 flat angles C4'-P-C4' energy: -50.592 flat angles P-C4'-P energy: -28.115 tors. eta vs tors. theta energy: -2.715 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: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -253.409492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.409492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.409492 (E_RNA) where: Base-Base interactions energy: -82.213 where: short stacking energy: -67.691 Base-Backbone interact. energy: -3.348 local terms energy: -167.848669 where: bonds (distance) C4'-P energy: -60.587 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -38.673 flat angles P-C4'-P energy: -11.989 tors. eta vs tors. theta energy: 3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1067.578675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.578675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.578675 (E_RNA) where: Base-Base interactions energy: -740.715 where: short stacking energy: -318.419 Base-Backbone interact. energy: 1.338 local terms energy: -328.201403 where: bonds (distance) C4'-P energy: -60.286 bonds (distance) P-C4' energy: -61.034 flat angles C4'-P-C4' energy: -68.087 flat angles P-C4'-P energy: -56.050 tors. eta vs tors. theta energy: -82.744 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: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -998.193580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.193580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.193580 (E_RNA) where: Base-Base interactions energy: -689.951 where: short stacking energy: -292.417 Base-Backbone interact. energy: 0.051 local terms energy: -308.293071 where: bonds (distance) C4'-P energy: -57.948 bonds (distance) P-C4' energy: -63.378 flat angles C4'-P-C4' energy: -70.863 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: -77.938 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: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -970.880230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.880230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.880230 (E_RNA) where: Base-Base interactions energy: -635.623 where: short stacking energy: -273.358 Base-Backbone interact. energy: -0.013 local terms energy: -335.243348 where: bonds (distance) C4'-P energy: -70.545 bonds (distance) P-C4' energy: -70.187 flat angles C4'-P-C4' energy: -70.606 flat angles P-C4'-P energy: -42.414 tors. eta vs tors. theta energy: -81.492 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: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -877.169470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.169470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.169470 (E_RNA) where: Base-Base interactions energy: -584.452 where: short stacking energy: -251.924 Base-Backbone interact. energy: -1.785 local terms energy: -290.932527 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -54.858 flat angles C4'-P-C4' energy: -63.876 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: -72.918 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -768.153087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.153087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.153087 (E_RNA) where: Base-Base interactions energy: -497.043 where: short stacking energy: -235.796 Base-Backbone interact. energy: 0.959 local terms energy: -272.069421 where: bonds (distance) C4'-P energy: -51.652 bonds (distance) P-C4' energy: -58.703 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -36.126 tors. eta vs tors. theta energy: -55.097 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: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -811.727274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.727274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.727274 (E_RNA) where: Base-Base interactions energy: -528.981 where: short stacking energy: -244.374 Base-Backbone interact. energy: -0.740 local terms energy: -282.005665 where: bonds (distance) C4'-P energy: -46.981 bonds (distance) P-C4' energy: -51.664 flat angles C4'-P-C4' energy: -63.419 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -67.436 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: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -652.973769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.973769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.973769 (E_RNA) where: Base-Base interactions energy: -398.549 where: short stacking energy: -200.966 Base-Backbone interact. energy: -0.477 local terms energy: -253.947746 where: bonds (distance) C4'-P energy: -48.259 bonds (distance) P-C4' energy: -56.934 flat angles C4'-P-C4' energy: -57.239 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -48.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -350.221717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.221717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.221717 (E_RNA) where: Base-Base interactions energy: -177.058 where: short stacking energy: -114.084 Base-Backbone interact. energy: -0.469 local terms energy: -172.694604 where: bonds (distance) C4'-P energy: -52.306 bonds (distance) P-C4' energy: -54.001 flat angles C4'-P-C4' energy: -41.076 flat angles P-C4'-P energy: -24.115 tors. eta vs tors. theta energy: -1.196 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: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -384.504589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.504589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.504589 (E_RNA) where: Base-Base interactions energy: -200.069 where: short stacking energy: -136.441 Base-Backbone interact. energy: 4.098 local terms energy: -188.533796 where: bonds (distance) C4'-P energy: -45.977 bonds (distance) P-C4' energy: -52.948 flat angles C4'-P-C4' energy: -40.400 flat angles P-C4'-P energy: -31.453 tors. eta vs tors. theta energy: -17.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -294.411918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.411918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.411918 (E_RNA) where: Base-Base interactions energy: -127.859 where: short stacking energy: -98.358 Base-Backbone interact. energy: -1.776 local terms energy: -164.776760 where: bonds (distance) C4'-P energy: -53.495 bonds (distance) P-C4' energy: -43.930 flat angles C4'-P-C4' energy: -50.390 flat angles P-C4'-P energy: -19.402 tors. eta vs tors. theta energy: 2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1081.288633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.288633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.288633 (E_RNA) where: Base-Base interactions energy: -740.567 where: short stacking energy: -314.200 Base-Backbone interact. energy: -3.719 local terms energy: -337.002374 where: bonds (distance) C4'-P energy: -60.458 bonds (distance) P-C4' energy: -67.060 flat angles C4'-P-C4' energy: -73.817 flat angles P-C4'-P energy: -45.880 tors. eta vs tors. theta energy: -89.787 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: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -994.355769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.355769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.355769 (E_RNA) where: Base-Base interactions energy: -662.124 where: short stacking energy: -290.868 Base-Backbone interact. energy: -0.806 local terms energy: -331.425618 where: bonds (distance) C4'-P energy: -67.300 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -74.508 flat angles P-C4'-P energy: -40.302 tors. eta vs tors. theta energy: -83.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -950.187333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.187333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.187333 (E_RNA) where: Base-Base interactions energy: -629.866 where: short stacking energy: -284.225 Base-Backbone interact. energy: -1.071 local terms energy: -319.249910 where: bonds (distance) C4'-P energy: -56.364 bonds (distance) P-C4' energy: -61.485 flat angles C4'-P-C4' energy: -67.394 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: -75.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -850.309468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.309468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.309468 (E_RNA) where: Base-Base interactions energy: -547.446 where: short stacking energy: -253.653 Base-Backbone interact. energy: -0.254 local terms energy: -302.609259 where: bonds (distance) C4'-P energy: -62.184 bonds (distance) P-C4' energy: -61.865 flat angles C4'-P-C4' energy: -65.041 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -67.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -832.436893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.436893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.436893 (E_RNA) where: Base-Base interactions energy: -573.201 where: short stacking energy: -258.897 Base-Backbone interact. energy: -0.864 local terms energy: -258.372450 where: bonds (distance) C4'-P energy: -43.897 bonds (distance) P-C4' energy: -53.320 flat angles C4'-P-C4' energy: -59.093 flat angles P-C4'-P energy: -35.073 tors. eta vs tors. theta energy: -66.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -739.968339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.968339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.968339 (E_RNA) where: Base-Base interactions energy: -472.831 where: short stacking energy: -219.958 Base-Backbone interact. energy: 1.849 local terms energy: -268.986456 where: bonds (distance) C4'-P energy: -53.333 bonds (distance) P-C4' energy: -54.102 flat angles C4'-P-C4' energy: -61.282 flat angles P-C4'-P energy: -48.352 tors. eta vs tors. theta energy: -51.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -609.495599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.495599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.495599 (E_RNA) where: Base-Base interactions energy: -355.835 where: short stacking energy: -194.251 Base-Backbone interact. energy: -1.839 local terms energy: -251.821552 where: bonds (distance) C4'-P energy: -51.373 bonds (distance) P-C4' energy: -65.004 flat angles C4'-P-C4' energy: -60.674 flat angles P-C4'-P energy: -25.694 tors. eta vs tors. theta energy: -49.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -334.636118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.636118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.636118 (E_RNA) where: Base-Base interactions energy: -156.093 where: short stacking energy: -91.492 Base-Backbone interact. energy: 0.298 local terms energy: -178.840995 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -52.743 flat angles C4'-P-C4' energy: -49.947 flat angles P-C4'-P energy: -26.226 tors. eta vs tors. theta energy: 2.147 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: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -388.848701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.848701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.848701 (E_RNA) where: Base-Base interactions energy: -194.885 where: short stacking energy: -119.645 Base-Backbone interact. energy: -0.358 local terms energy: -193.605245 where: bonds (distance) C4'-P energy: -50.433 bonds (distance) P-C4' energy: -60.312 flat angles C4'-P-C4' energy: -45.481 flat angles P-C4'-P energy: -36.308 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -289.355494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.355494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.355494 (E_RNA) where: Base-Base interactions energy: -110.126 where: short stacking energy: -92.205 Base-Backbone interact. energy: 7.072 local terms energy: -186.301322 where: bonds (distance) C4'-P energy: -45.527 bonds (distance) P-C4' energy: -67.642 flat angles C4'-P-C4' energy: -45.840 flat angles P-C4'-P energy: -26.530 tors. eta vs tors. theta energy: -0.762 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: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1063.080052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.080052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.080052 (E_RNA) where: Base-Base interactions energy: -722.772 where: short stacking energy: -318.117 Base-Backbone interact. energy: 3.861 local terms energy: -344.168568 where: bonds (distance) C4'-P energy: -68.016 bonds (distance) P-C4' energy: -70.341 flat angles C4'-P-C4' energy: -75.283 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -83.534 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: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -986.781438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.781438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.781438 (E_RNA) where: Base-Base interactions energy: -667.284 where: short stacking energy: -300.938 Base-Backbone interact. energy: -1.144 local terms energy: -318.353473 where: bonds (distance) C4'-P energy: -56.593 bonds (distance) P-C4' energy: -61.926 flat angles C4'-P-C4' energy: -75.914 flat angles P-C4'-P energy: -42.997 tors. eta vs tors. theta energy: -80.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -982.982861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.982861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.982861 (E_RNA) where: Base-Base interactions energy: -671.030 where: short stacking energy: -311.051 Base-Backbone interact. energy: -0.079 local terms energy: -311.873660 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -67.197 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -33.975 tors. eta vs tors. theta energy: -83.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -888.764719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.764719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.764719 (E_RNA) where: Base-Base interactions energy: -594.867 where: short stacking energy: -254.664 Base-Backbone interact. energy: -1.292 local terms energy: -292.605265 where: bonds (distance) C4'-P energy: -55.454 bonds (distance) P-C4' energy: -62.847 flat angles C4'-P-C4' energy: -63.855 flat angles P-C4'-P energy: -45.782 tors. eta vs tors. theta energy: -64.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -867.260788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.260788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.260788 (E_RNA) where: Base-Base interactions energy: -571.364 where: short stacking energy: -278.219 Base-Backbone interact. energy: -1.027 local terms energy: -294.869803 where: bonds (distance) C4'-P energy: -49.930 bonds (distance) P-C4' energy: -65.010 flat angles C4'-P-C4' energy: -64.830 flat angles P-C4'-P energy: -38.328 tors. eta vs tors. theta energy: -76.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -745.808818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.808818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.808818 (E_RNA) where: Base-Base interactions energy: -492.532 where: short stacking energy: -231.537 Base-Backbone interact. energy: -3.351 local terms energy: -249.925883 where: bonds (distance) C4'-P energy: -45.141 bonds (distance) P-C4' energy: -48.148 flat angles C4'-P-C4' energy: -56.660 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: -62.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -640.319064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.319064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.319064 (E_RNA) where: Base-Base interactions energy: -383.658 where: short stacking energy: -186.615 Base-Backbone interact. energy: -2.190 local terms energy: -254.471285 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -56.950 flat angles C4'-P-C4' energy: -73.554 flat angles P-C4'-P energy: -29.250 tors. eta vs tors. theta energy: -38.840 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: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -413.790401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.790401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.790401 (E_RNA) where: Base-Base interactions energy: -215.151 where: short stacking energy: -140.094 Base-Backbone interact. energy: 0.681 local terms energy: -199.320255 where: bonds (distance) C4'-P energy: -53.451 bonds (distance) P-C4' energy: -59.938 flat angles C4'-P-C4' energy: -42.066 flat angles P-C4'-P energy: -20.143 tors. eta vs tors. theta energy: -23.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -314.622392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.622392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.622392 (E_RNA) where: Base-Base interactions energy: -116.286 where: short stacking energy: -86.662 Base-Backbone interact. energy: -0.879 local terms energy: -197.457144 where: bonds (distance) C4'-P energy: -55.524 bonds (distance) P-C4' energy: -61.455 flat angles C4'-P-C4' energy: -55.625 flat angles P-C4'-P energy: -26.005 tors. eta vs tors. theta energy: 1.151 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: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -275.542586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.542586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.542586 (E_RNA) where: Base-Base interactions energy: -110.390 where: short stacking energy: -90.352 Base-Backbone interact. energy: -0.450 local terms energy: -164.702439 where: bonds (distance) C4'-P energy: -56.673 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -32.880 flat angles P-C4'-P energy: -28.140 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: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1053.003780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.003780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.003780 (E_RNA) where: Base-Base interactions energy: -720.740 where: short stacking energy: -311.236 Base-Backbone interact. energy: -0.618 local terms energy: -331.645560 where: bonds (distance) C4'-P energy: -68.356 bonds (distance) P-C4' energy: -67.132 flat angles C4'-P-C4' energy: -63.512 flat angles P-C4'-P energy: -50.388 tors. eta vs tors. theta energy: -82.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1018.573855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.573855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.573855 (E_RNA) where: Base-Base interactions energy: -703.723 where: short stacking energy: -299.024 Base-Backbone interact. energy: -1.376 local terms energy: -313.475327 where: bonds (distance) C4'-P energy: -60.733 bonds (distance) P-C4' energy: -68.268 flat angles C4'-P-C4' energy: -65.971 flat angles P-C4'-P energy: -37.672 tors. eta vs tors. theta energy: -80.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -966.961991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.961991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.961991 (E_RNA) where: Base-Base interactions energy: -653.953 where: short stacking energy: -295.882 Base-Backbone interact. energy: -0.612 local terms energy: -312.396826 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -68.755 flat angles C4'-P-C4' energy: -63.066 flat angles P-C4'-P energy: -39.945 tors. eta vs tors. theta energy: -80.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -888.707164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.707164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.707164 (E_RNA) where: Base-Base interactions energy: -594.847 where: short stacking energy: -268.330 Base-Backbone interact. energy: -0.581 local terms energy: -293.279315 where: bonds (distance) C4'-P energy: -60.589 bonds (distance) P-C4' energy: -63.297 flat angles C4'-P-C4' energy: -66.236 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: -59.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -842.714550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.714550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.714550 (E_RNA) where: Base-Base interactions energy: -565.410 where: short stacking energy: -243.845 Base-Backbone interact. energy: -0.268 local terms energy: -277.036359 where: bonds (distance) C4'-P energy: -59.124 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -40.980 tors. eta vs tors. theta energy: -54.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -749.326569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.326569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.326569 (E_RNA) where: Base-Base interactions energy: -473.734 where: short stacking energy: -206.985 Base-Backbone interact. energy: -0.483 local terms energy: -275.109581 where: bonds (distance) C4'-P energy: -52.876 bonds (distance) P-C4' energy: -59.604 flat angles C4'-P-C4' energy: -58.566 flat angles P-C4'-P energy: -53.917 tors. eta vs tors. theta energy: -50.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -589.088308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.088308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.088308 (E_RNA) where: Base-Base interactions energy: -344.167 where: short stacking energy: -175.327 Base-Backbone interact. energy: 1.176 local terms energy: -246.097325 where: bonds (distance) C4'-P energy: -51.508 bonds (distance) P-C4' energy: -51.892 flat angles C4'-P-C4' energy: -60.466 flat angles P-C4'-P energy: -38.921 tors. eta vs tors. theta energy: -43.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -439.039963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.039963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.039963 (E_RNA) where: Base-Base interactions energy: -236.811 where: short stacking energy: -130.041 Base-Backbone interact. energy: 1.046 local terms energy: -203.275311 where: bonds (distance) C4'-P energy: -50.533 bonds (distance) P-C4' energy: -61.341 flat angles C4'-P-C4' energy: -54.294 flat angles P-C4'-P energy: -17.926 tors. eta vs tors. theta energy: -19.181 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: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -330.329424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.329424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.329424 (E_RNA) where: Base-Base interactions energy: -145.559 where: short stacking energy: -108.052 Base-Backbone interact. energy: 4.593 local terms energy: -189.363218 where: bonds (distance) C4'-P energy: -53.544 bonds (distance) P-C4' energy: -55.706 flat angles C4'-P-C4' energy: -54.220 flat angles P-C4'-P energy: -18.033 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -290.876378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.876378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.876378 (E_RNA) where: Base-Base interactions energy: -125.348 where: short stacking energy: -79.558 Base-Backbone interact. energy: 0.863 local terms energy: -166.391586 where: bonds (distance) C4'-P energy: -46.336 bonds (distance) P-C4' energy: -45.689 flat angles C4'-P-C4' energy: -46.161 flat angles P-C4'-P energy: -27.094 tors. eta vs tors. theta energy: -1.112 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: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1060.649602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.649602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.649602 (E_RNA) where: Base-Base interactions energy: -733.064 where: short stacking energy: -309.118 Base-Backbone interact. energy: -2.710 local terms energy: -324.875891 where: bonds (distance) C4'-P energy: -61.860 bonds (distance) P-C4' energy: -64.180 flat angles C4'-P-C4' energy: -67.752 flat angles P-C4'-P energy: -44.503 tors. eta vs tors. theta energy: -86.581 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: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -979.239788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.239788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.239788 (E_RNA) where: Base-Base interactions energy: -662.211 where: short stacking energy: -282.794 Base-Backbone interact. energy: 0.500 local terms energy: -317.528775 where: bonds (distance) C4'-P energy: -58.253 bonds (distance) P-C4' energy: -59.104 flat angles C4'-P-C4' energy: -68.888 flat angles P-C4'-P energy: -48.817 tors. eta vs tors. theta energy: -82.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -959.555757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.555757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.555757 (E_RNA) where: Base-Base interactions energy: -636.399 where: short stacking energy: -288.864 Base-Backbone interact. energy: -0.331 local terms energy: -322.825951 where: bonds (distance) C4'-P energy: -59.437 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -68.666 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: -85.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -916.683804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.683804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.683804 (E_RNA) where: Base-Base interactions energy: -612.141 where: short stacking energy: -282.789 Base-Backbone interact. energy: -0.480 local terms energy: -304.062874 where: bonds (distance) C4'-P energy: -58.549 bonds (distance) P-C4' energy: -62.693 flat angles C4'-P-C4' energy: -65.803 flat angles P-C4'-P energy: -47.332 tors. eta vs tors. theta energy: -69.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -803.785383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.785383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.785383 (E_RNA) where: Base-Base interactions energy: -540.490 where: short stacking energy: -247.194 Base-Backbone interact. energy: -0.934 local terms energy: -262.361390 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -54.319 flat angles C4'-P-C4' energy: -51.894 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -61.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -755.677829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.677829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.677829 (E_RNA) where: Base-Base interactions energy: -504.603 where: short stacking energy: -220.609 Base-Backbone interact. energy: 1.243 local terms energy: -252.317594 where: bonds (distance) C4'-P energy: -48.807 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -57.988 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: -47.007 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: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -612.377696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.377696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.377696 (E_RNA) where: Base-Base interactions energy: -377.495 where: short stacking energy: -172.867 Base-Backbone interact. energy: 3.206 local terms energy: -238.088036 where: bonds (distance) C4'-P energy: -55.773 bonds (distance) P-C4' energy: -59.783 flat angles C4'-P-C4' energy: -43.422 flat angles P-C4'-P energy: -43.334 tors. eta vs tors. theta energy: -35.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -433.803179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.803179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.803179 (E_RNA) where: Base-Base interactions energy: -246.885 where: short stacking energy: -127.715 Base-Backbone interact. energy: 0.119 local terms energy: -187.037262 where: bonds (distance) C4'-P energy: -42.404 bonds (distance) P-C4' energy: -55.858 flat angles C4'-P-C4' energy: -53.973 flat angles P-C4'-P energy: -31.904 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -289.139150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.139150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.139150 (E_RNA) where: Base-Base interactions energy: -111.424 where: short stacking energy: -74.201 Base-Backbone interact. energy: -0.052 local terms energy: -177.662706 where: bonds (distance) C4'-P energy: -51.334 bonds (distance) P-C4' energy: -57.790 flat angles C4'-P-C4' energy: -56.812 flat angles P-C4'-P energy: -23.261 tors. eta vs tors. theta energy: 11.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -267.304496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.304496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.304496 (E_RNA) where: Base-Base interactions energy: -100.147 where: short stacking energy: -87.756 Base-Backbone interact. energy: 0.613 local terms energy: -167.771118 where: bonds (distance) C4'-P energy: -53.436 bonds (distance) P-C4' energy: -50.277 flat angles C4'-P-C4' energy: -42.270 flat angles P-C4'-P energy: -23.629 tors. eta vs tors. theta energy: 1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1077.452432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.452432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.452432 (E_RNA) where: Base-Base interactions energy: -749.931 where: short stacking energy: -323.140 Base-Backbone interact. energy: -0.752 local terms energy: -326.769078 where: bonds (distance) C4'-P energy: -59.687 bonds (distance) P-C4' energy: -56.647 flat angles C4'-P-C4' energy: -69.639 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -93.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -969.417240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.417240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.417240 (E_RNA) where: Base-Base interactions energy: -649.682 where: short stacking energy: -294.621 Base-Backbone interact. energy: -1.407 local terms energy: -318.328506 where: bonds (distance) C4'-P energy: -58.305 bonds (distance) P-C4' energy: -64.490 flat angles C4'-P-C4' energy: -62.217 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: -80.592 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: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -972.735591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.735591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.735591 (E_RNA) where: Base-Base interactions energy: -653.634 where: short stacking energy: -292.207 Base-Backbone interact. energy: 0.656 local terms energy: -319.757401 where: bonds (distance) C4'-P energy: -49.809 bonds (distance) P-C4' energy: -66.043 flat angles C4'-P-C4' energy: -72.208 flat angles P-C4'-P energy: -43.383 tors. eta vs tors. theta energy: -88.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -939.671548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.671548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.671548 (E_RNA) where: Base-Base interactions energy: -634.730 where: short stacking energy: -291.847 Base-Backbone interact. energy: -1.187 local terms energy: -303.754364 where: bonds (distance) C4'-P energy: -48.639 bonds (distance) P-C4' energy: -51.849 flat angles C4'-P-C4' energy: -60.259 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: -86.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -771.427446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.427446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.427446 (E_RNA) where: Base-Base interactions energy: -501.303 where: short stacking energy: -231.956 Base-Backbone interact. energy: -1.415 local terms energy: -268.709340 where: bonds (distance) C4'-P energy: -52.085 bonds (distance) P-C4' energy: -65.409 flat angles C4'-P-C4' energy: -58.397 flat angles P-C4'-P energy: -33.907 tors. eta vs tors. theta energy: -58.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -777.994249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.994249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.994249 (E_RNA) where: Base-Base interactions energy: -491.275 where: short stacking energy: -220.789 Base-Backbone interact. energy: -3.450 local terms energy: -283.269640 where: bonds (distance) C4'-P energy: -64.199 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -57.621 flat angles P-C4'-P energy: -37.560 tors. eta vs tors. theta energy: -53.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -610.198286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.198286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.198286 (E_RNA) where: Base-Base interactions energy: -355.009 where: short stacking energy: -172.993 Base-Backbone interact. energy: -1.692 local terms energy: -253.497663 where: bonds (distance) C4'-P energy: -65.016 bonds (distance) P-C4' energy: -44.643 flat angles C4'-P-C4' energy: -65.270 flat angles P-C4'-P energy: -41.615 tors. eta vs tors. theta energy: -36.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -423.308606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.308606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.308606 (E_RNA) where: Base-Base interactions energy: -212.902 where: short stacking energy: -125.748 Base-Backbone interact. energy: -0.861 local terms energy: -209.545807 where: bonds (distance) C4'-P energy: -57.021 bonds (distance) P-C4' energy: -54.258 flat angles C4'-P-C4' energy: -51.402 flat angles P-C4'-P energy: -31.464 tors. eta vs tors. theta energy: -15.402 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: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -328.871438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.871438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.871438 (E_RNA) where: Base-Base interactions energy: -153.827 where: short stacking energy: -94.779 Base-Backbone interact. energy: 0.761 local terms energy: -175.804554 where: bonds (distance) C4'-P energy: -56.975 bonds (distance) P-C4' energy: -51.657 flat angles C4'-P-C4' energy: -45.484 flat angles P-C4'-P energy: -29.975 tors. eta vs tors. theta energy: 8.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -260.482285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.482285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.482285 (E_RNA) where: Base-Base interactions energy: -88.296 where: short stacking energy: -87.060 Base-Backbone interact. energy: -0.103 local terms energy: -172.083525 where: bonds (distance) C4'-P energy: -57.574 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -36.496 flat angles P-C4'-P energy: -27.844 tors. eta vs tors. theta energy: 12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1068.322416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.322416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.322416 (E_RNA) where: Base-Base interactions energy: -752.359 where: short stacking energy: -325.396 Base-Backbone interact. energy: 1.200 local terms energy: -317.163355 where: bonds (distance) C4'-P energy: -61.973 bonds (distance) P-C4' energy: -56.503 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -46.137 tors. eta vs tors. theta energy: -90.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1009.813475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.813475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.813475 (E_RNA) where: Base-Base interactions energy: -685.284 where: short stacking energy: -323.627 Base-Backbone interact. energy: -0.864 local terms energy: -323.666059 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -64.333 flat angles C4'-P-C4' energy: -67.113 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: -90.871 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: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -964.246009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.246009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.246009 (E_RNA) where: Base-Base interactions energy: -642.757 where: short stacking energy: -280.430 Base-Backbone interact. energy: -1.640 local terms energy: -319.849778 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -66.362 flat angles P-C4'-P energy: -47.832 tors. eta vs tors. theta energy: -75.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -941.906515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.906515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.906515 (E_RNA) where: Base-Base interactions energy: -635.525 where: short stacking energy: -283.154 Base-Backbone interact. energy: -0.241 local terms energy: -306.139902 where: bonds (distance) C4'-P energy: -61.733 bonds (distance) P-C4' energy: -56.900 flat angles C4'-P-C4' energy: -63.628 flat angles P-C4'-P energy: -43.929 tors. eta vs tors. theta energy: -79.951 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: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -792.031531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.031531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.031531 (E_RNA) where: Base-Base interactions energy: -528.811 where: short stacking energy: -241.882 Base-Backbone interact. energy: -0.918 local terms energy: -262.302438 where: bonds (distance) C4'-P energy: -62.332 bonds (distance) P-C4' energy: -48.503 flat angles C4'-P-C4' energy: -59.717 flat angles P-C4'-P energy: -34.954 tors. eta vs tors. theta energy: -56.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -757.357290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.357290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.357290 (E_RNA) where: Base-Base interactions energy: -508.895 where: short stacking energy: -221.740 Base-Backbone interact. energy: -0.947 local terms energy: -247.516041 where: bonds (distance) C4'-P energy: -52.801 bonds (distance) P-C4' energy: -52.350 flat angles C4'-P-C4' energy: -58.679 flat angles P-C4'-P energy: -39.885 tors. eta vs tors. theta energy: -43.802 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: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -595.216273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.216273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.216273 (E_RNA) where: Base-Base interactions energy: -362.733 where: short stacking energy: -177.188 Base-Backbone interact. energy: 3.536 local terms energy: -236.019413 where: bonds (distance) C4'-P energy: -41.508 bonds (distance) P-C4' energy: -63.377 flat angles C4'-P-C4' energy: -59.021 flat angles P-C4'-P energy: -29.849 tors. eta vs tors. theta energy: -42.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -413.259542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.259542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.259542 (E_RNA) where: Base-Base interactions energy: -227.000 where: short stacking energy: -142.933 Base-Backbone interact. energy: -1.907 local terms energy: -184.352249 where: bonds (distance) C4'-P energy: -45.160 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -43.970 flat angles P-C4'-P energy: -31.236 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -285.855689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.855689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.855689 (E_RNA) where: Base-Base interactions energy: -101.108 where: short stacking energy: -77.939 Base-Backbone interact. energy: 1.474 local terms energy: -186.222371 where: bonds (distance) C4'-P energy: -52.586 bonds (distance) P-C4' energy: -55.938 flat angles C4'-P-C4' energy: -56.016 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: 17.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -267.293535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.293535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.293535 (E_RNA) where: Base-Base interactions energy: -100.812 where: short stacking energy: -78.811 Base-Backbone interact. energy: -2.252 local terms energy: -164.229241 where: bonds (distance) C4'-P energy: -51.386 bonds (distance) P-C4' energy: -50.322 flat angles C4'-P-C4' energy: -41.480 flat angles P-C4'-P energy: -32.722 tors. eta vs tors. theta energy: 11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1051.982576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.982576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.982576 (E_RNA) where: Base-Base interactions energy: -702.973 where: short stacking energy: -301.648 Base-Backbone interact. energy: -1.489 local terms energy: -347.520705 where: bonds (distance) C4'-P energy: -69.387 bonds (distance) P-C4' energy: -71.123 flat angles C4'-P-C4' energy: -75.590 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: -82.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1030.727777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.727777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.727777 (E_RNA) where: Base-Base interactions energy: -710.295 where: short stacking energy: -318.897 Base-Backbone interact. energy: -1.102 local terms energy: -319.331065 where: bonds (distance) C4'-P energy: -63.642 bonds (distance) P-C4' energy: -61.049 flat angles C4'-P-C4' energy: -73.513 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: -80.828 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: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -955.513818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.513818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.513818 (E_RNA) where: Base-Base interactions energy: -637.406 where: short stacking energy: -283.088 Base-Backbone interact. energy: -1.610 local terms energy: -316.498063 where: bonds (distance) C4'-P energy: -64.495 bonds (distance) P-C4' energy: -62.795 flat angles C4'-P-C4' energy: -69.251 flat angles P-C4'-P energy: -37.184 tors. eta vs tors. theta energy: -82.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -937.721990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.721990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.721990 (E_RNA) where: Base-Base interactions energy: -630.364 where: short stacking energy: -266.857 Base-Backbone interact. energy: 2.046 local terms energy: -309.404001 where: bonds (distance) C4'-P energy: -56.355 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -69.514 flat angles P-C4'-P energy: -42.470 tors. eta vs tors. theta energy: -77.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -771.639294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.639294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.639294 (E_RNA) where: Base-Base interactions energy: -500.533 where: short stacking energy: -219.309 Base-Backbone interact. energy: 0.462 local terms energy: -271.568398 where: bonds (distance) C4'-P energy: -51.194 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -60.403 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: -61.033 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: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -762.706523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.706523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.706523 (E_RNA) where: Base-Base interactions energy: -507.520 where: short stacking energy: -225.705 Base-Backbone interact. energy: 0.042 local terms energy: -255.228733 where: bonds (distance) C4'-P energy: -52.966 bonds (distance) P-C4' energy: -45.969 flat angles C4'-P-C4' energy: -63.151 flat angles P-C4'-P energy: -34.832 tors. eta vs tors. theta energy: -58.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -600.161735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.161735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.161735 (E_RNA) where: Base-Base interactions energy: -387.044 where: short stacking energy: -147.990 Base-Backbone interact. energy: 0.029 local terms energy: -213.145859 where: bonds (distance) C4'-P energy: -58.461 bonds (distance) P-C4' energy: -51.362 flat angles C4'-P-C4' energy: -40.830 flat angles P-C4'-P energy: -42.517 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -409.805507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.805507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.805507 (E_RNA) where: Base-Base interactions energy: -202.729 where: short stacking energy: -114.454 Base-Backbone interact. energy: 0.976 local terms energy: -208.052312 where: bonds (distance) C4'-P energy: -31.606 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -55.748 flat angles P-C4'-P energy: -38.308 tors. eta vs tors. theta energy: -14.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -285.621885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.621885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.621885 (E_RNA) where: Base-Base interactions energy: -109.270 where: short stacking energy: -93.357 Base-Backbone interact. energy: 1.987 local terms energy: -178.338469 where: bonds (distance) C4'-P energy: -48.447 bonds (distance) P-C4' energy: -61.159 flat angles C4'-P-C4' energy: -46.712 flat angles P-C4'-P energy: -23.137 tors. eta vs tors. theta energy: 1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -267.696994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.696994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.696994 (E_RNA) where: Base-Base interactions energy: -90.700 where: short stacking energy: -85.182 Base-Backbone interact. energy: 0.597 local terms energy: -177.593659 where: bonds (distance) C4'-P energy: -51.682 bonds (distance) P-C4' energy: -57.893 flat angles C4'-P-C4' energy: -42.142 flat angles P-C4'-P energy: -34.012 tors. eta vs tors. theta energy: 8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1076.250259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.250259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.250259 (E_RNA) where: Base-Base interactions energy: -726.953 where: short stacking energy: -317.017 Base-Backbone interact. energy: -1.249 local terms energy: -348.048838 where: bonds (distance) C4'-P energy: -73.441 bonds (distance) P-C4' energy: -65.820 flat angles C4'-P-C4' energy: -67.109 flat angles P-C4'-P energy: -49.101 tors. eta vs tors. theta energy: -92.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1012.027378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.027378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.027378 (E_RNA) where: Base-Base interactions energy: -704.518 where: short stacking energy: -298.113 Base-Backbone interact. energy: -1.587 local terms energy: -305.923147 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -65.199 flat angles C4'-P-C4' energy: -65.730 flat angles P-C4'-P energy: -34.909 tors. eta vs tors. theta energy: -78.903 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: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -980.243142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.243142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.243142 (E_RNA) where: Base-Base interactions energy: -674.263 where: short stacking energy: -300.350 Base-Backbone interact. energy: 0.100 local terms energy: -306.079827 where: bonds (distance) C4'-P energy: -66.671 bonds (distance) P-C4' energy: -53.508 flat angles C4'-P-C4' energy: -64.647 flat angles P-C4'-P energy: -40.104 tors. eta vs tors. theta energy: -81.149 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: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -894.527832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.527832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.527832 (E_RNA) where: Base-Base interactions energy: -603.145 where: short stacking energy: -257.174 Base-Backbone interact. energy: -0.990 local terms energy: -290.393281 where: bonds (distance) C4'-P energy: -47.725 bonds (distance) P-C4' energy: -62.144 flat angles C4'-P-C4' energy: -58.337 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -73.117 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: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -793.186252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.186252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.186252 (E_RNA) where: Base-Base interactions energy: -514.354 where: short stacking energy: -240.462 Base-Backbone interact. energy: -1.025 local terms energy: -277.806971 where: bonds (distance) C4'-P energy: -49.294 bonds (distance) P-C4' energy: -63.039 flat angles C4'-P-C4' energy: -62.859 flat angles P-C4'-P energy: -33.539 tors. eta vs tors. theta energy: -69.076 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: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -763.632458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.632458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.632458 (E_RNA) where: Base-Base interactions energy: -514.163 where: short stacking energy: -223.696 Base-Backbone interact. energy: -0.944 local terms energy: -248.524800 where: bonds (distance) C4'-P energy: -41.272 bonds (distance) P-C4' energy: -44.101 flat angles C4'-P-C4' energy: -67.752 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -57.273 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: 7, replica: 6 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -682.584717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.584717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.584717 (E_RNA) where: Base-Base interactions energy: -433.692 where: short stacking energy: -211.997 Base-Backbone interact. energy: 3.093 local terms energy: -251.985947 where: bonds (distance) C4'-P energy: -61.936 bonds (distance) P-C4' energy: -53.710 flat angles C4'-P-C4' energy: -63.095 flat angles P-C4'-P energy: -30.284 tors. eta vs tors. theta energy: -42.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -396.113618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.113618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.113618 (E_RNA) where: Base-Base interactions energy: -189.990 where: short stacking energy: -116.473 Base-Backbone interact. energy: -0.414 local terms energy: -205.709724 where: bonds (distance) C4'-P energy: -57.067 bonds (distance) P-C4' energy: -65.123 flat angles C4'-P-C4' energy: -46.595 flat angles P-C4'-P energy: -25.184 tors. eta vs tors. theta energy: -11.741 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: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -334.859040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.859040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.859040 (E_RNA) where: Base-Base interactions energy: -133.092 where: short stacking energy: -89.696 Base-Backbone interact. energy: -1.601 local terms energy: -200.166699 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -63.013 flat angles C4'-P-C4' energy: -37.497 flat angles P-C4'-P energy: -32.890 tors. eta vs tors. theta energy: -4.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -285.154112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.154112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.154112 (E_RNA) where: Base-Base interactions energy: -108.394 where: short stacking energy: -89.417 Base-Backbone interact. energy: 0.032 local terms energy: -176.792817 where: bonds (distance) C4'-P energy: -55.712 bonds (distance) P-C4' energy: -54.062 flat angles C4'-P-C4' energy: -48.212 flat angles P-C4'-P energy: -14.132 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1065.355986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.355986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.355986 (E_RNA) where: Base-Base interactions energy: -731.033 where: short stacking energy: -311.284 Base-Backbone interact. energy: -1.327 local terms energy: -332.995375 where: bonds (distance) C4'-P energy: -61.155 bonds (distance) P-C4' energy: -66.222 flat angles C4'-P-C4' energy: -72.663 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -84.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1023.703828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.703828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.703828 (E_RNA) where: Base-Base interactions energy: -700.252 where: short stacking energy: -307.620 Base-Backbone interact. energy: -1.934 local terms energy: -321.518036 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -62.140 flat angles C4'-P-C4' energy: -75.270 flat angles P-C4'-P energy: -44.707 tors. eta vs tors. theta energy: -82.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -952.990057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.990057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.990057 (E_RNA) where: Base-Base interactions energy: -670.115 where: short stacking energy: -281.968 Base-Backbone interact. energy: -2.239 local terms energy: -280.635510 where: bonds (distance) C4'-P energy: -58.737 bonds (distance) P-C4' energy: -51.650 flat angles C4'-P-C4' energy: -63.223 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -67.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -900.796507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.796507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.796507 (E_RNA) where: Base-Base interactions energy: -606.509 where: short stacking energy: -273.063 Base-Backbone interact. energy: -0.338 local terms energy: -293.948651 where: bonds (distance) C4'-P energy: -52.627 bonds (distance) P-C4' energy: -59.666 flat angles C4'-P-C4' energy: -65.095 flat angles P-C4'-P energy: -43.515 tors. eta vs tors. theta energy: -73.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -830.248561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.248561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.248561 (E_RNA) where: Base-Base interactions energy: -535.841 where: short stacking energy: -260.998 Base-Backbone interact. energy: -0.502 local terms energy: -293.905237 where: bonds (distance) C4'-P energy: -61.322 bonds (distance) P-C4' energy: -56.058 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -68.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -765.348058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.348058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.348058 (E_RNA) where: Base-Base interactions energy: -513.693 where: short stacking energy: -234.231 Base-Backbone interact. energy: -0.913 local terms energy: -250.742424 where: bonds (distance) C4'-P energy: -52.578 bonds (distance) P-C4' energy: -48.516 flat angles C4'-P-C4' energy: -66.982 flat angles P-C4'-P energy: -27.388 tors. eta vs tors. theta energy: -55.279 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: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -689.154315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.154315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.154315 (E_RNA) where: Base-Base interactions energy: -445.326 where: short stacking energy: -205.711 Base-Backbone interact. energy: 1.450 local terms energy: -245.277498 where: bonds (distance) C4'-P energy: -50.686 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -27.826 tors. eta vs tors. theta energy: -45.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -392.141916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.141916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.141916 (E_RNA) where: Base-Base interactions energy: -195.800 where: short stacking energy: -120.234 Base-Backbone interact. energy: -1.303 local terms energy: -195.039385 where: bonds (distance) C4'-P energy: -52.626 bonds (distance) P-C4' energy: -50.544 flat angles C4'-P-C4' energy: -48.295 flat angles P-C4'-P energy: -39.278 tors. eta vs tors. theta energy: -4.296 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -364.836765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.836765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.836765 (E_RNA) where: Base-Base interactions energy: -172.073 where: short stacking energy: -114.584 Base-Backbone interact. energy: 1.604 local terms energy: -194.367624 where: bonds (distance) C4'-P energy: -58.890 bonds (distance) P-C4' energy: -44.937 flat angles C4'-P-C4' energy: -46.773 flat angles P-C4'-P energy: -24.093 tors. eta vs tors. theta energy: -19.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -274.868776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.868776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.868776 (E_RNA) where: Base-Base interactions energy: -110.513 where: short stacking energy: -55.269 Base-Backbone interact. energy: -0.689 local terms energy: -163.666279 where: bonds (distance) C4'-P energy: -66.014 bonds (distance) P-C4' energy: -53.545 flat angles C4'-P-C4' energy: -42.729 flat angles P-C4'-P energy: -20.531 tors. eta vs tors. theta energy: 19.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1070.033194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.033194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.033194 (E_RNA) where: Base-Base interactions energy: -734.624 where: short stacking energy: -312.332 Base-Backbone interact. energy: -0.774 local terms energy: -334.634880 where: bonds (distance) C4'-P energy: -62.256 bonds (distance) P-C4' energy: -57.273 flat angles C4'-P-C4' energy: -75.087 flat angles P-C4'-P energy: -53.624 tors. eta vs tors. theta energy: -86.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1011.693148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.693148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.693148 (E_RNA) where: Base-Base interactions energy: -681.360 where: short stacking energy: -288.975 Base-Backbone interact. energy: -1.612 local terms energy: -328.721971 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -65.907 flat angles C4'-P-C4' energy: -73.043 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -77.208 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: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -945.561534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.561534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.561534 (E_RNA) where: Base-Base interactions energy: -655.422 where: short stacking energy: -267.642 Base-Backbone interact. energy: -0.834 local terms energy: -289.305569 where: bonds (distance) C4'-P energy: -59.926 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -61.069 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: -63.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -875.919348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.919348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.919348 (E_RNA) where: Base-Base interactions energy: -576.063 where: short stacking energy: -267.083 Base-Backbone interact. energy: -2.785 local terms energy: -297.071481 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -64.484 flat angles P-C4'-P energy: -40.387 tors. eta vs tors. theta energy: -68.023 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: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -814.931516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.931516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.931516 (E_RNA) where: Base-Base interactions energy: -546.665 where: short stacking energy: -245.826 Base-Backbone interact. energy: 1.544 local terms energy: -269.810288 where: bonds (distance) C4'-P energy: -43.187 bonds (distance) P-C4' energy: -51.016 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: -63.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -805.962796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.962796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.962796 (E_RNA) where: Base-Base interactions energy: -526.645 where: short stacking energy: -229.521 Base-Backbone interact. energy: -0.902 local terms energy: -278.416160 where: bonds (distance) C4'-P energy: -48.921 bonds (distance) P-C4' energy: -68.838 flat angles C4'-P-C4' energy: -62.294 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: -58.989 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: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -639.194812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.194812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.194812 (E_RNA) where: Base-Base interactions energy: -371.207 where: short stacking energy: -178.950 Base-Backbone interact. energy: -1.209 local terms energy: -266.779431 where: bonds (distance) C4'-P energy: -54.262 bonds (distance) P-C4' energy: -65.445 flat angles C4'-P-C4' energy: -66.510 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -41.198 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: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -371.392311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.392311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.392311 (E_RNA) where: Base-Base interactions energy: -173.203 where: short stacking energy: -108.344 Base-Backbone interact. energy: 2.059 local terms energy: -200.247534 where: bonds (distance) C4'-P energy: -55.315 bonds (distance) P-C4' energy: -68.913 flat angles C4'-P-C4' energy: -50.750 flat angles P-C4'-P energy: -29.974 tors. eta vs tors. theta energy: 4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -359.604376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.604376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.604376 (E_RNA) where: Base-Base interactions energy: -173.616 where: short stacking energy: -100.683 Base-Backbone interact. energy: 2.096 local terms energy: -188.084024 where: bonds (distance) C4'-P energy: -52.126 bonds (distance) P-C4' energy: -55.153 flat angles C4'-P-C4' energy: -39.648 flat angles P-C4'-P energy: -36.663 tors. eta vs tors. theta energy: -4.494 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: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -278.567141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.567141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.567141 (E_RNA) where: Base-Base interactions energy: -105.907 where: short stacking energy: -86.748 Base-Backbone interact. energy: 0.308 local terms energy: -172.968429 where: bonds (distance) C4'-P energy: -44.149 bonds (distance) P-C4' energy: -58.737 flat angles C4'-P-C4' energy: -53.704 flat angles P-C4'-P energy: -21.225 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: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1072.163701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.163701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.163701 (E_RNA) where: Base-Base interactions energy: -733.199 where: short stacking energy: -320.806 Base-Backbone interact. energy: 0.236 local terms energy: -339.200327 where: bonds (distance) C4'-P energy: -68.243 bonds (distance) P-C4' energy: -64.231 flat angles C4'-P-C4' energy: -70.158 flat angles P-C4'-P energy: -41.898 tors. eta vs tors. theta energy: -94.670 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: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1013.794849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.794849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.794849 (E_RNA) where: Base-Base interactions energy: -667.568 where: short stacking energy: -291.108 Base-Backbone interact. energy: -1.208 local terms energy: -345.018442 where: bonds (distance) C4'-P energy: -66.081 bonds (distance) P-C4' energy: -73.114 flat angles C4'-P-C4' energy: -67.483 flat angles P-C4'-P energy: -54.366 tors. eta vs tors. theta energy: -83.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -961.052410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.052410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.052410 (E_RNA) where: Base-Base interactions energy: -664.837 where: short stacking energy: -285.415 Base-Backbone interact. energy: -0.863 local terms energy: -295.352144 where: bonds (distance) C4'-P energy: -58.343 bonds (distance) P-C4' energy: -62.892 flat angles C4'-P-C4' energy: -57.347 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -73.526 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: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -858.883581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.883581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.883581 (E_RNA) where: Base-Base interactions energy: -566.614 where: short stacking energy: -247.664 Base-Backbone interact. energy: -0.505 local terms energy: -291.764517 where: bonds (distance) C4'-P energy: -63.617 bonds (distance) P-C4' energy: -56.137 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -42.517 tors. eta vs tors. theta energy: -64.565 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: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -825.838555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.838555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.838555 (E_RNA) where: Base-Base interactions energy: -545.223 where: short stacking energy: -253.977 Base-Backbone interact. energy: 0.457 local terms energy: -281.072866 where: bonds (distance) C4'-P energy: -42.453 bonds (distance) P-C4' energy: -65.735 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -44.175 tors. eta vs tors. theta energy: -64.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -785.546072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.546072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.546072 (E_RNA) where: Base-Base interactions energy: -518.858 where: short stacking energy: -230.520 Base-Backbone interact. energy: -0.093 local terms energy: -266.594931 where: bonds (distance) C4'-P energy: -63.595 bonds (distance) P-C4' energy: -53.135 flat angles C4'-P-C4' energy: -55.921 flat angles P-C4'-P energy: -38.048 tors. eta vs tors. theta energy: -55.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -641.139146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.139146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.139146 (E_RNA) where: Base-Base interactions energy: -396.247 where: short stacking energy: -194.888 Base-Backbone interact. energy: -0.578 local terms energy: -244.314012 where: bonds (distance) C4'-P energy: -54.439 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -46.963 flat angles P-C4'-P energy: -40.751 tors. eta vs tors. theta energy: -45.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -358.831341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.831341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.831341 (E_RNA) where: Base-Base interactions energy: -155.740 where: short stacking energy: -101.026 Base-Backbone interact. energy: -1.118 local terms energy: -201.972743 where: bonds (distance) C4'-P energy: -58.430 bonds (distance) P-C4' energy: -63.267 flat angles C4'-P-C4' energy: -48.417 flat angles P-C4'-P energy: -22.352 tors. eta vs tors. theta energy: -9.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -429.884100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.884100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.884100 (E_RNA) where: Base-Base interactions energy: -235.318 where: short stacking energy: -115.485 Base-Backbone interact. energy: 0.529 local terms energy: -195.095219 where: bonds (distance) C4'-P energy: -51.137 bonds (distance) P-C4' energy: -49.693 flat angles C4'-P-C4' energy: -46.723 flat angles P-C4'-P energy: -31.349 tors. eta vs tors. theta energy: -16.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -266.133225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.133225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.133225 (E_RNA) where: Base-Base interactions energy: -90.483 where: short stacking energy: -68.637 Base-Backbone interact. energy: 0.175 local terms energy: -175.824817 where: bonds (distance) C4'-P energy: -59.263 bonds (distance) P-C4' energy: -57.080 flat angles C4'-P-C4' energy: -42.132 flat angles P-C4'-P energy: -27.393 tors. eta vs tors. theta energy: 10.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1071.602405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.602405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.602405 (E_RNA) where: Base-Base interactions energy: -753.917 where: short stacking energy: -321.129 Base-Backbone interact. energy: -1.169 local terms energy: -316.516565 where: bonds (distance) C4'-P energy: -55.750 bonds (distance) P-C4' energy: -54.098 flat angles C4'-P-C4' energy: -73.516 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -88.681 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: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1025.378747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.378747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.378747 (E_RNA) where: Base-Base interactions energy: -700.163 where: short stacking energy: -299.178 Base-Backbone interact. energy: -2.307 local terms energy: -322.908510 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -52.661 flat angles C4'-P-C4' energy: -76.020 flat angles P-C4'-P energy: -49.080 tors. eta vs tors. theta energy: -85.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -955.477239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.477239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.477239 (E_RNA) where: Base-Base interactions energy: -652.394 where: short stacking energy: -304.563 Base-Backbone interact. energy: 0.135 local terms energy: -303.218026 where: bonds (distance) C4'-P energy: -60.677 bonds (distance) P-C4' energy: -48.274 flat angles C4'-P-C4' energy: -65.891 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -86.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -864.552076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.552076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.552076 (E_RNA) where: Base-Base interactions energy: -548.323 where: short stacking energy: -252.603 Base-Backbone interact. energy: -0.166 local terms energy: -316.062650 where: bonds (distance) C4'-P energy: -65.347 bonds (distance) P-C4' energy: -69.095 flat angles C4'-P-C4' energy: -66.638 flat angles P-C4'-P energy: -40.504 tors. eta vs tors. theta energy: -74.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -833.166194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.166194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.166194 (E_RNA) where: Base-Base interactions energy: -546.825 where: short stacking energy: -246.913 Base-Backbone interact. energy: -2.763 local terms energy: -283.578455 where: bonds (distance) C4'-P energy: -49.259 bonds (distance) P-C4' energy: -60.665 flat angles C4'-P-C4' energy: -70.213 flat angles P-C4'-P energy: -36.105 tors. eta vs tors. theta energy: -67.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -759.436409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.436409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.436409 (E_RNA) where: Base-Base interactions energy: -494.590 where: short stacking energy: -233.172 Base-Backbone interact. energy: -0.328 local terms energy: -264.518746 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -52.982 flat angles C4'-P-C4' energy: -62.275 flat angles P-C4'-P energy: -30.589 tors. eta vs tors. theta energy: -62.377 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: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -622.293785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.293785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.293785 (E_RNA) where: Base-Base interactions energy: -360.132 where: short stacking energy: -187.213 Base-Backbone interact. energy: 0.503 local terms energy: -262.664255 where: bonds (distance) C4'-P energy: -51.631 bonds (distance) P-C4' energy: -56.878 flat angles C4'-P-C4' energy: -58.963 flat angles P-C4'-P energy: -44.831 tors. eta vs tors. theta energy: -50.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -416.139349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.139349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.139349 (E_RNA) where: Base-Base interactions energy: -202.269 where: short stacking energy: -127.608 Base-Backbone interact. energy: -0.421 local terms energy: -213.448892 where: bonds (distance) C4'-P energy: -40.285 bonds (distance) P-C4' energy: -55.137 flat angles C4'-P-C4' energy: -60.394 flat angles P-C4'-P energy: -35.337 tors. eta vs tors. theta energy: -22.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -321.813702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.813702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.813702 (E_RNA) where: Base-Base interactions energy: -136.410 where: short stacking energy: -89.308 Base-Backbone interact. energy: -0.479 local terms energy: -184.924786 where: bonds (distance) C4'-P energy: -52.544 bonds (distance) P-C4' energy: -56.235 flat angles C4'-P-C4' energy: -50.277 flat angles P-C4'-P energy: -24.521 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -284.868066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.868066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.868066 (E_RNA) where: Base-Base interactions energy: -104.285 where: short stacking energy: -86.254 Base-Backbone interact. energy: 3.158 local terms energy: -183.740648 where: bonds (distance) C4'-P energy: -52.510 bonds (distance) P-C4' energy: -46.696 flat angles C4'-P-C4' energy: -56.595 flat angles P-C4'-P energy: -32.078 tors. eta vs tors. theta energy: 4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1040.531831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.531831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.531831 (E_RNA) where: Base-Base interactions energy: -697.112 where: short stacking energy: -301.967 Base-Backbone interact. energy: -1.911 local terms energy: -341.509120 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -71.952 flat angles C4'-P-C4' energy: -63.524 flat angles P-C4'-P energy: -54.539 tors. eta vs tors. theta energy: -89.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1041.185185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.185185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.185185 (E_RNA) where: Base-Base interactions energy: -710.031 where: short stacking energy: -305.773 Base-Backbone interact. energy: 0.464 local terms energy: -331.617933 where: bonds (distance) C4'-P energy: -60.918 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -73.692 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -83.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -942.821041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.821041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.821041 (E_RNA) where: Base-Base interactions energy: -635.713 where: short stacking energy: -281.561 Base-Backbone interact. energy: -1.691 local terms energy: -305.417260 where: bonds (distance) C4'-P energy: -56.252 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -70.455 flat angles P-C4'-P energy: -45.272 tors. eta vs tors. theta energy: -70.497 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: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -879.035648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.035648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.035648 (E_RNA) where: Base-Base interactions energy: -596.608 where: short stacking energy: -267.091 Base-Backbone interact. energy: -1.212 local terms energy: -281.214784 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -65.013 flat angles C4'-P-C4' energy: -59.236 flat angles P-C4'-P energy: -31.833 tors. eta vs tors. theta energy: -65.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -839.065420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.065420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.065420 (E_RNA) where: Base-Base interactions energy: -555.348 where: short stacking energy: -246.805 Base-Backbone interact. energy: -1.695 local terms energy: -282.022502 where: bonds (distance) C4'-P energy: -56.467 bonds (distance) P-C4' energy: -55.679 flat angles C4'-P-C4' energy: -66.190 flat angles P-C4'-P energy: -40.802 tors. eta vs tors. theta energy: -62.884 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: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -744.349542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.349542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.349542 (E_RNA) where: Base-Base interactions energy: -477.555 where: short stacking energy: -234.083 Base-Backbone interact. energy: -1.197 local terms energy: -265.598077 where: bonds (distance) C4'-P energy: -54.686 bonds (distance) P-C4' energy: -58.289 flat angles C4'-P-C4' energy: -58.375 flat angles P-C4'-P energy: -39.851 tors. eta vs tors. theta energy: -54.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -622.686879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.686879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.686879 (E_RNA) where: Base-Base interactions energy: -373.213 where: short stacking energy: -189.441 Base-Backbone interact. energy: -0.622 local terms energy: -248.851052 where: bonds (distance) C4'-P energy: -53.449 bonds (distance) P-C4' energy: -44.261 flat angles C4'-P-C4' energy: -68.432 flat angles P-C4'-P energy: -34.805 tors. eta vs tors. theta energy: -47.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -445.755808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.755808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.755808 (E_RNA) where: Base-Base interactions energy: -234.269 where: short stacking energy: -145.296 Base-Backbone interact. energy: 0.479 local terms energy: -211.965896 where: bonds (distance) C4'-P energy: -55.347 bonds (distance) P-C4' energy: -54.624 flat angles C4'-P-C4' energy: -55.797 flat angles P-C4'-P energy: -31.013 tors. eta vs tors. theta energy: -15.185 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: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -282.795084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.795084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.795084 (E_RNA) where: Base-Base interactions energy: -96.777 where: short stacking energy: -94.565 Base-Backbone interact. energy: -1.439 local terms energy: -184.579170 where: bonds (distance) C4'-P energy: -49.668 bonds (distance) P-C4' energy: -63.412 flat angles C4'-P-C4' energy: -41.322 flat angles P-C4'-P energy: -29.273 tors. eta vs tors. theta energy: -0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -312.651774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.651774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.651774 (E_RNA) where: Base-Base interactions energy: -149.886 where: short stacking energy: -91.942 Base-Backbone interact. energy: -1.028 local terms energy: -161.736833 where: bonds (distance) C4'-P energy: -41.912 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -32.654 flat angles P-C4'-P energy: -28.296 tors. eta vs tors. theta energy: 2.489 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: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1060.124764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.124764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.124764 (E_RNA) where: Base-Base interactions energy: -713.618 where: short stacking energy: -310.877 Base-Backbone interact. energy: -1.569 local terms energy: -344.937248 where: bonds (distance) C4'-P energy: -65.963 bonds (distance) P-C4' energy: -70.152 flat angles C4'-P-C4' energy: -69.148 flat angles P-C4'-P energy: -54.179 tors. eta vs tors. theta energy: -85.497 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: 151 Temperature: 0.950000 Total energy: -1058.538193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.538193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.538193 (E_RNA) where: Base-Base interactions energy: -730.889 where: short stacking energy: -313.709 Base-Backbone interact. energy: -1.572 local terms energy: -326.077425 where: bonds (distance) C4'-P energy: -60.326 bonds (distance) P-C4' energy: -59.446 flat angles C4'-P-C4' energy: -69.888 flat angles P-C4'-P energy: -50.364 tors. eta vs tors. theta energy: -86.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -967.856378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.856378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.856378 (E_RNA) where: Base-Base interactions energy: -664.321 where: short stacking energy: -298.897 Base-Backbone interact. energy: -2.058 local terms energy: -301.476479 where: bonds (distance) C4'-P energy: -53.962 bonds (distance) P-C4' energy: -55.565 flat angles C4'-P-C4' energy: -63.354 flat angles P-C4'-P energy: -46.897 tors. eta vs tors. theta energy: -81.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -853.431875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.431875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.431875 (E_RNA) where: Base-Base interactions energy: -561.922 where: short stacking energy: -254.585 Base-Backbone interact. energy: 0.077 local terms energy: -291.587066 where: bonds (distance) C4'-P energy: -60.856 bonds (distance) P-C4' energy: -62.405 flat angles C4'-P-C4' energy: -63.242 flat angles P-C4'-P energy: -42.275 tors. eta vs tors. theta energy: -62.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -840.506890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.506890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.506890 (E_RNA) where: Base-Base interactions energy: -553.100 where: short stacking energy: -256.629 Base-Backbone interact. energy: 1.102 local terms energy: -288.509080 where: bonds (distance) C4'-P energy: -56.323 bonds (distance) P-C4' energy: -53.623 flat angles C4'-P-C4' energy: -66.932 flat angles P-C4'-P energy: -46.599 tors. eta vs tors. theta energy: -65.033 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: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -780.306732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.306732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.306732 (E_RNA) where: Base-Base interactions energy: -508.027 where: short stacking energy: -219.794 Base-Backbone interact. energy: -0.546 local terms energy: -271.734081 where: bonds (distance) C4'-P energy: -53.402 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -59.882 flat angles P-C4'-P energy: -38.168 tors. eta vs tors. theta energy: -54.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -606.075909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.075909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.075909 (E_RNA) where: Base-Base interactions energy: -387.130 where: short stacking energy: -176.160 Base-Backbone interact. energy: -1.700 local terms energy: -217.246734 where: bonds (distance) C4'-P energy: -55.326 bonds (distance) P-C4' energy: -55.022 flat angles C4'-P-C4' energy: -44.551 flat angles P-C4'-P energy: -27.517 tors. eta vs tors. theta energy: -34.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -491.601871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.601871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.601871 (E_RNA) where: Base-Base interactions energy: -286.649 where: short stacking energy: -125.817 Base-Backbone interact. energy: 1.401 local terms energy: -206.353656 where: bonds (distance) C4'-P energy: -43.116 bonds (distance) P-C4' energy: -53.490 flat angles C4'-P-C4' energy: -48.751 flat angles P-C4'-P energy: -44.030 tors. eta vs tors. theta energy: -16.966 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: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -385.785773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.785773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.785773 (E_RNA) where: Base-Base interactions energy: -194.804 where: short stacking energy: -119.029 Base-Backbone interact. energy: -1.313 local terms energy: -189.669212 where: bonds (distance) C4'-P energy: -54.305 bonds (distance) P-C4' energy: -47.834 flat angles C4'-P-C4' energy: -43.800 flat angles P-C4'-P energy: -37.840 tors. eta vs tors. theta energy: -5.890 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: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -317.105302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.105302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.105302 (E_RNA) where: Base-Base interactions energy: -142.133 where: short stacking energy: -101.467 Base-Backbone interact. energy: 0.391 local terms energy: -175.362927 where: bonds (distance) C4'-P energy: -40.037 bonds (distance) P-C4' energy: -59.257 flat angles C4'-P-C4' energy: -39.414 flat angles P-C4'-P energy: -31.018 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1065.013602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.013602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.013602 (E_RNA) where: Base-Base interactions energy: -726.142 where: short stacking energy: -328.626 Base-Backbone interact. energy: -1.983 local terms energy: -336.888632 where: bonds (distance) C4'-P energy: -56.622 bonds (distance) P-C4' energy: -65.359 flat angles C4'-P-C4' energy: -69.023 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -90.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1046.457622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.457622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.457622 (E_RNA) where: Base-Base interactions energy: -728.385 where: short stacking energy: -307.811 Base-Backbone interact. energy: -0.170 local terms energy: -317.902160 where: bonds (distance) C4'-P energy: -61.538 bonds (distance) P-C4' energy: -50.480 flat angles C4'-P-C4' energy: -75.411 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: -85.527 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: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -956.298799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.298799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.298799 (E_RNA) where: Base-Base interactions energy: -663.277 where: short stacking energy: -279.041 Base-Backbone interact. energy: -1.375 local terms energy: -291.647138 where: bonds (distance) C4'-P energy: -55.721 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -57.817 flat angles P-C4'-P energy: -38.028 tors. eta vs tors. theta energy: -75.234 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: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -842.692962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.692962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.692962 (E_RNA) where: Base-Base interactions energy: -553.548 where: short stacking energy: -265.325 Base-Backbone interact. energy: 1.852 local terms energy: -290.996290 where: bonds (distance) C4'-P energy: -52.032 bonds (distance) P-C4' energy: -57.751 flat angles C4'-P-C4' energy: -65.417 flat angles P-C4'-P energy: -43.999 tors. eta vs tors. theta energy: -71.797 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: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -801.833938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.833938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.833938 (E_RNA) where: Base-Base interactions energy: -503.412 where: short stacking energy: -221.207 Base-Backbone interact. energy: -0.189 local terms energy: -298.233313 where: bonds (distance) C4'-P energy: -60.794 bonds (distance) P-C4' energy: -68.565 flat angles C4'-P-C4' energy: -60.685 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: -60.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -813.084601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.084601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.084601 (E_RNA) where: Base-Base interactions energy: -552.521 where: short stacking energy: -239.053 Base-Backbone interact. energy: -2.210 local terms energy: -258.353833 where: bonds (distance) C4'-P energy: -47.856 bonds (distance) P-C4' energy: -59.258 flat angles C4'-P-C4' energy: -51.683 flat angles P-C4'-P energy: -36.062 tors. eta vs tors. theta energy: -63.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -623.068171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.068171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.068171 (E_RNA) where: Base-Base interactions energy: -383.986 where: short stacking energy: -165.505 Base-Backbone interact. energy: 0.246 local terms energy: -239.328367 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -57.925 flat angles C4'-P-C4' energy: -53.467 flat angles P-C4'-P energy: -34.026 tors. eta vs tors. theta energy: -30.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -524.228625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.228625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.228625 (E_RNA) where: Base-Base interactions energy: -314.861 where: short stacking energy: -157.563 Base-Backbone interact. energy: 1.320 local terms energy: -210.687429 where: bonds (distance) C4'-P energy: -40.300 bonds (distance) P-C4' energy: -58.187 flat angles C4'-P-C4' energy: -55.036 flat angles P-C4'-P energy: -23.815 tors. eta vs tors. theta energy: -33.349 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: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -360.493188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.493188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.493188 (E_RNA) where: Base-Base interactions energy: -169.867 where: short stacking energy: -91.566 Base-Backbone interact. energy: 1.735 local terms energy: -192.361959 where: bonds (distance) C4'-P energy: -55.439 bonds (distance) P-C4' energy: -53.768 flat angles C4'-P-C4' energy: -40.044 flat angles P-C4'-P energy: -33.431 tors. eta vs tors. theta energy: -9.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -328.460317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.460317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.460317 (E_RNA) where: Base-Base interactions energy: -156.169 where: short stacking energy: -86.209 Base-Backbone interact. energy: -0.493 local terms energy: -171.798018 where: bonds (distance) C4'-P energy: -52.065 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -42.920 flat angles P-C4'-P energy: -22.519 tors. eta vs tors. theta energy: 5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1051.398522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.398522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.398522 (E_RNA) where: Base-Base interactions energy: -714.416 where: short stacking energy: -315.348 Base-Backbone interact. energy: -1.101 local terms energy: -335.881336 where: bonds (distance) C4'-P energy: -69.873 bonds (distance) P-C4' energy: -66.211 flat angles C4'-P-C4' energy: -63.722 flat angles P-C4'-P energy: -48.676 tors. eta vs tors. theta energy: -87.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1028.773070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.773070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.773070 (E_RNA) where: Base-Base interactions energy: -693.345 where: short stacking energy: -292.777 Base-Backbone interact. energy: -1.666 local terms energy: -333.762391 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -66.610 flat angles C4'-P-C4' energy: -75.121 flat angles P-C4'-P energy: -45.101 tors. eta vs tors. theta energy: -82.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -967.037462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.037462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.037462 (E_RNA) where: Base-Base interactions energy: -664.273 where: short stacking energy: -285.773 Base-Backbone interact. energy: -0.556 local terms energy: -302.208917 where: bonds (distance) C4'-P energy: -51.710 bonds (distance) P-C4' energy: -60.041 flat angles C4'-P-C4' energy: -65.850 flat angles P-C4'-P energy: -47.163 tors. eta vs tors. theta energy: -77.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -860.248122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.248122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.248122 (E_RNA) where: Base-Base interactions energy: -554.570 where: short stacking energy: -248.271 Base-Backbone interact. energy: -1.177 local terms energy: -304.501299 where: bonds (distance) C4'-P energy: -55.186 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -71.688 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -70.110 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: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -805.455104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.455104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.455104 (E_RNA) where: Base-Base interactions energy: -510.126 where: short stacking energy: -221.610 Base-Backbone interact. energy: 0.938 local terms energy: -296.267141 where: bonds (distance) C4'-P energy: -53.356 bonds (distance) P-C4' energy: -69.751 flat angles C4'-P-C4' energy: -64.203 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -66.043 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: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -788.048073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.048073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.048073 (E_RNA) where: Base-Base interactions energy: -518.282 where: short stacking energy: -225.292 Base-Backbone interact. energy: -2.451 local terms energy: -267.315198 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -53.328 flat angles C4'-P-C4' energy: -58.036 flat angles P-C4'-P energy: -44.090 tors. eta vs tors. theta energy: -49.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -658.600452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.600452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.600452 (E_RNA) where: Base-Base interactions energy: -407.286 where: short stacking energy: -183.755 Base-Backbone interact. energy: -0.443 local terms energy: -250.871564 where: bonds (distance) C4'-P energy: -55.989 bonds (distance) P-C4' energy: -60.071 flat angles C4'-P-C4' energy: -57.754 flat angles P-C4'-P energy: -40.109 tors. eta vs tors. theta energy: -36.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -508.892110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.892110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.892110 (E_RNA) where: Base-Base interactions energy: -297.626 where: short stacking energy: -120.158 Base-Backbone interact. energy: -0.544 local terms energy: -210.722263 where: bonds (distance) C4'-P energy: -56.490 bonds (distance) P-C4' energy: -62.066 flat angles C4'-P-C4' energy: -51.487 flat angles P-C4'-P energy: -26.188 tors. eta vs tors. theta energy: -14.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -354.626015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.626015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.626015 (E_RNA) where: Base-Base interactions energy: -174.572 where: short stacking energy: -104.049 Base-Backbone interact. energy: 2.161 local terms energy: -182.214439 where: bonds (distance) C4'-P energy: -40.365 bonds (distance) P-C4' energy: -61.377 flat angles C4'-P-C4' energy: -46.113 flat angles P-C4'-P energy: -15.088 tors. eta vs tors. theta energy: -19.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -371.076388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.076388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.076388 (E_RNA) where: Base-Base interactions energy: -183.720 where: short stacking energy: -105.434 Base-Backbone interact. energy: -1.733 local terms energy: -185.622965 where: bonds (distance) C4'-P energy: -39.722 bonds (distance) P-C4' energy: -49.308 flat angles C4'-P-C4' energy: -49.749 flat angles P-C4'-P energy: -31.996 tors. eta vs tors. theta energy: -14.848 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: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1055.780379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.780379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.780379 (E_RNA) where: Base-Base interactions energy: -708.951 where: short stacking energy: -313.756 Base-Backbone interact. energy: -1.042 local terms energy: -345.787811 where: bonds (distance) C4'-P energy: -68.323 bonds (distance) P-C4' energy: -67.058 flat angles C4'-P-C4' energy: -67.403 flat angles P-C4'-P energy: -52.460 tors. eta vs tors. theta energy: -90.544 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: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1039.083486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.083486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.083486 (E_RNA) where: Base-Base interactions energy: -708.614 where: short stacking energy: -307.686 Base-Backbone interact. energy: -2.322 local terms energy: -328.147765 where: bonds (distance) C4'-P energy: -43.615 bonds (distance) P-C4' energy: -69.931 flat angles C4'-P-C4' energy: -71.014 flat angles P-C4'-P energy: -53.802 tors. eta vs tors. theta energy: -89.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -988.038889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.038889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.038889 (E_RNA) where: Base-Base interactions energy: -670.006 where: short stacking energy: -319.377 Base-Backbone interact. energy: 0.345 local terms energy: -318.378624 where: bonds (distance) C4'-P energy: -46.777 bonds (distance) P-C4' energy: -63.531 flat angles C4'-P-C4' energy: -72.156 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: -88.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -880.797707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.797707 (E_RNA) where: Base-Base interactions energy: -584.089 where: short stacking energy: -275.203 Base-Backbone interact. energy: -1.423 local terms energy: -295.285872 where: bonds (distance) C4'-P energy: -60.074 bonds (distance) P-C4' energy: -60.249 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -48.239 tors. eta vs tors. theta energy: -61.924 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: 154 Temperature: 1.100000 Total energy: -824.857264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.857264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.857264 (E_RNA) where: Base-Base interactions energy: -540.077 where: short stacking energy: -249.206 Base-Backbone interact. energy: -2.057 local terms energy: -282.723657 where: bonds (distance) C4'-P energy: -60.817 bonds (distance) P-C4' energy: -55.505 flat angles C4'-P-C4' energy: -61.916 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: -66.152 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -784.375709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.375709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.375709 (E_RNA) where: Base-Base interactions energy: -510.646 where: short stacking energy: -244.529 Base-Backbone interact. energy: -1.280 local terms energy: -272.449415 where: bonds (distance) C4'-P energy: -60.727 bonds (distance) P-C4' energy: -62.510 flat angles C4'-P-C4' energy: -63.075 flat angles P-C4'-P energy: -24.429 tors. eta vs tors. theta energy: -61.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -547.863832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.863832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.863832 (E_RNA) where: Base-Base interactions energy: -304.461 where: short stacking energy: -154.156 Base-Backbone interact. energy: -1.047 local terms energy: -242.356275 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -62.836 flat angles C4'-P-C4' energy: -57.684 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -21.384 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: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -662.634536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.634536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.634536 (E_RNA) where: Base-Base interactions energy: -413.472 where: short stacking energy: -182.000 Base-Backbone interact. energy: -0.042 local terms energy: -249.120426 where: bonds (distance) C4'-P energy: -49.724 bonds (distance) P-C4' energy: -55.515 flat angles C4'-P-C4' energy: -61.376 flat angles P-C4'-P energy: -38.550 tors. eta vs tors. theta energy: -43.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -389.565932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.565932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.565932 (E_RNA) where: Base-Base interactions energy: -184.885 where: short stacking energy: -113.713 Base-Backbone interact. energy: -0.733 local terms energy: -203.947094 where: bonds (distance) C4'-P energy: -56.090 bonds (distance) P-C4' energy: -63.254 flat angles C4'-P-C4' energy: -43.097 flat angles P-C4'-P energy: -32.343 tors. eta vs tors. theta energy: -9.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -327.644415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.644415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.644415 (E_RNA) where: Base-Base interactions energy: -143.993 where: short stacking energy: -103.051 Base-Backbone interact. energy: -0.750 local terms energy: -182.900939 where: bonds (distance) C4'-P energy: -45.710 bonds (distance) P-C4' energy: -54.688 flat angles C4'-P-C4' energy: -44.323 flat angles P-C4'-P energy: -31.082 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1056.419823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.419823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.419823 (E_RNA) where: Base-Base interactions energy: -719.000 where: short stacking energy: -319.727 Base-Backbone interact. energy: 4.155 local terms energy: -341.575006 where: bonds (distance) C4'-P energy: -48.758 bonds (distance) P-C4' energy: -77.228 flat angles C4'-P-C4' energy: -69.037 flat angles P-C4'-P energy: -50.364 tors. eta vs tors. theta energy: -96.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1054.433934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.433934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.433934 (E_RNA) where: Base-Base interactions energy: -730.322 where: short stacking energy: -307.552 Base-Backbone interact. energy: -1.475 local terms energy: -322.636741 where: bonds (distance) C4'-P energy: -52.999 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -74.505 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -85.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -954.792033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.792033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.792033 (E_RNA) where: Base-Base interactions energy: -638.787 where: short stacking energy: -281.019 Base-Backbone interact. energy: -2.580 local terms energy: -313.424821 where: bonds (distance) C4'-P energy: -59.734 bonds (distance) P-C4' energy: -64.801 flat angles C4'-P-C4' energy: -69.325 flat angles P-C4'-P energy: -44.088 tors. eta vs tors. theta energy: -75.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -861.484225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.484225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.484225 (E_RNA) where: Base-Base interactions energy: -569.894 where: short stacking energy: -263.005 Base-Backbone interact. energy: -1.059 local terms energy: -290.531614 where: bonds (distance) C4'-P energy: -67.588 bonds (distance) P-C4' energy: -56.718 flat angles C4'-P-C4' energy: -65.377 flat angles P-C4'-P energy: -31.964 tors. eta vs tors. theta energy: -68.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -809.664834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.664834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.664834 (E_RNA) where: Base-Base interactions energy: -529.213 where: short stacking energy: -262.046 Base-Backbone interact. energy: -1.028 local terms energy: -279.423907 where: bonds (distance) C4'-P energy: -57.539 bonds (distance) P-C4' energy: -44.403 flat angles C4'-P-C4' energy: -64.126 flat angles P-C4'-P energy: -44.122 tors. eta vs tors. theta energy: -69.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -765.262219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.262219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.262219 (E_RNA) where: Base-Base interactions energy: -498.786 where: short stacking energy: -240.651 Base-Backbone interact. energy: -2.317 local terms energy: -264.159575 where: bonds (distance) C4'-P energy: -50.002 bonds (distance) P-C4' energy: -48.747 flat angles C4'-P-C4' energy: -52.548 flat angles P-C4'-P energy: -44.637 tors. eta vs tors. theta energy: -68.224 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: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -553.044389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.044389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.044389 (E_RNA) where: Base-Base interactions energy: -339.263 where: short stacking energy: -157.833 Base-Backbone interact. energy: 1.020 local terms energy: -214.800870 where: bonds (distance) C4'-P energy: -50.142 bonds (distance) P-C4' energy: -49.828 flat angles C4'-P-C4' energy: -56.318 flat angles P-C4'-P energy: -25.498 tors. eta vs tors. theta energy: -33.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -659.422055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.422055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.422055 (E_RNA) where: Base-Base interactions energy: -418.688 where: short stacking energy: -201.513 Base-Backbone interact. energy: -0.019 local terms energy: -240.715066 where: bonds (distance) C4'-P energy: -49.432 bonds (distance) P-C4' energy: -54.697 flat angles C4'-P-C4' energy: -55.104 flat angles P-C4'-P energy: -36.196 tors. eta vs tors. theta energy: -45.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -373.705017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.705017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.705017 (E_RNA) where: Base-Base interactions energy: -175.004 where: short stacking energy: -110.226 Base-Backbone interact. energy: 2.947 local terms energy: -201.647540 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -53.751 flat angles C4'-P-C4' energy: -58.727 flat angles P-C4'-P energy: -27.115 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -272.882555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.882555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.882555 (E_RNA) where: Base-Base interactions energy: -80.748 where: short stacking energy: -74.777 Base-Backbone interact. energy: -0.739 local terms energy: -191.396297 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -58.839 flat angles C4'-P-C4' energy: -60.311 flat angles P-C4'-P energy: -29.358 tors. eta vs tors. theta energy: 8.603 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: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1069.597384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.597384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.597384 (E_RNA) where: Base-Base interactions energy: -739.509 where: short stacking energy: -322.698 Base-Backbone interact. energy: -1.366 local terms energy: -328.722168 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -58.033 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -50.328 tors. eta vs tors. theta energy: -87.923 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: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1018.295108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.295108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.295108 (E_RNA) where: Base-Base interactions energy: -684.005 where: short stacking energy: -293.942 Base-Backbone interact. energy: -1.137 local terms energy: -333.152858 where: bonds (distance) C4'-P energy: -60.659 bonds (distance) P-C4' energy: -76.497 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -49.564 tors. eta vs tors. theta energy: -74.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -936.949260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.949260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.949260 (E_RNA) where: Base-Base interactions energy: -618.348 where: short stacking energy: -261.437 Base-Backbone interact. energy: -2.811 local terms energy: -315.791046 where: bonds (distance) C4'-P energy: -63.559 bonds (distance) P-C4' energy: -60.321 flat angles C4'-P-C4' energy: -72.687 flat angles P-C4'-P energy: -51.672 tors. eta vs tors. theta energy: -67.553 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: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -848.679120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.679120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.679120 (E_RNA) where: Base-Base interactions energy: -562.772 where: short stacking energy: -263.403 Base-Backbone interact. energy: -0.528 local terms energy: -285.378753 where: bonds (distance) C4'-P energy: -49.429 bonds (distance) P-C4' energy: -62.887 flat angles C4'-P-C4' energy: -66.225 flat angles P-C4'-P energy: -35.230 tors. eta vs tors. theta energy: -71.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -841.072350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.072350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.072350 (E_RNA) where: Base-Base interactions energy: -546.237 where: short stacking energy: -246.595 Base-Backbone interact. energy: 0.222 local terms energy: -295.057170 where: bonds (distance) C4'-P energy: -55.077 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -64.966 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -66.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -750.220772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.220772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.220772 (E_RNA) where: Base-Base interactions energy: -480.638 where: short stacking energy: -203.278 Base-Backbone interact. energy: -0.147 local terms energy: -269.435961 where: bonds (distance) C4'-P energy: -57.549 bonds (distance) P-C4' energy: -68.949 flat angles C4'-P-C4' energy: -49.440 flat angles P-C4'-P energy: -42.132 tors. eta vs tors. theta energy: -51.366 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: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -667.577177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.577177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.577177 (E_RNA) where: Base-Base interactions energy: -443.852 where: short stacking energy: -216.957 Base-Backbone interact. energy: -0.642 local terms energy: -223.083663 where: bonds (distance) C4'-P energy: -31.257 bonds (distance) P-C4' energy: -51.934 flat angles C4'-P-C4' energy: -56.895 flat angles P-C4'-P energy: -34.369 tors. eta vs tors. theta energy: -48.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -598.318125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.318125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.318125 (E_RNA) where: Base-Base interactions energy: -359.575 where: short stacking energy: -162.539 Base-Backbone interact. energy: 0.367 local terms energy: -239.110199 where: bonds (distance) C4'-P energy: -59.984 bonds (distance) P-C4' energy: -58.539 flat angles C4'-P-C4' energy: -54.928 flat angles P-C4'-P energy: -28.657 tors. eta vs tors. theta energy: -37.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -365.431452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.431452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.431452 (E_RNA) where: Base-Base interactions energy: -176.335 where: short stacking energy: -117.365 Base-Backbone interact. energy: -0.682 local terms energy: -188.414555 where: bonds (distance) C4'-P energy: -51.479 bonds (distance) P-C4' energy: -49.054 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -22.337 tors. eta vs tors. theta energy: -7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -299.290060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.290060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.290060 (E_RNA) where: Base-Base interactions energy: -116.126 where: short stacking energy: -73.681 Base-Backbone interact. energy: -1.027 local terms energy: -182.137550 where: bonds (distance) C4'-P energy: -46.464 bonds (distance) P-C4' energy: -57.448 flat angles C4'-P-C4' energy: -53.420 flat angles P-C4'-P energy: -33.973 tors. eta vs tors. theta energy: 9.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1045.718889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.718889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.718889 (E_RNA) where: Base-Base interactions energy: -714.813 where: short stacking energy: -301.518 Base-Backbone interact. energy: -2.771 local terms energy: -328.134479 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -62.108 flat angles C4'-P-C4' energy: -70.464 flat angles P-C4'-P energy: -44.726 tors. eta vs tors. theta energy: -84.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1011.457483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.457483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.457483 (E_RNA) where: Base-Base interactions energy: -694.631 where: short stacking energy: -286.520 Base-Backbone interact. energy: -2.060 local terms energy: -314.766566 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -55.752 flat angles C4'-P-C4' energy: -75.061 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -75.812 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: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -971.574104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.574104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.574104 (E_RNA) where: Base-Base interactions energy: -652.972 where: short stacking energy: -306.354 Base-Backbone interact. energy: -0.443 local terms energy: -318.158928 where: bonds (distance) C4'-P energy: -62.255 bonds (distance) P-C4' energy: -49.972 flat angles C4'-P-C4' energy: -71.356 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -82.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -869.274493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.274493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.274493 (E_RNA) where: Base-Base interactions energy: -554.062 where: short stacking energy: -251.864 Base-Backbone interact. energy: 1.187 local terms energy: -316.399842 where: bonds (distance) C4'-P energy: -57.787 bonds (distance) P-C4' energy: -68.384 flat angles C4'-P-C4' energy: -71.511 flat angles P-C4'-P energy: -49.225 tors. eta vs tors. theta energy: -69.493 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: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -835.218439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.218439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.218439 (E_RNA) where: Base-Base interactions energy: -538.600 where: short stacking energy: -254.673 Base-Backbone interact. energy: -2.076 local terms energy: -294.542508 where: bonds (distance) C4'-P energy: -63.578 bonds (distance) P-C4' energy: -53.721 flat angles C4'-P-C4' energy: -70.160 flat angles P-C4'-P energy: -35.194 tors. eta vs tors. theta energy: -71.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -778.536782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.536782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.536782 (E_RNA) where: Base-Base interactions energy: -519.703 where: short stacking energy: -227.067 Base-Backbone interact. energy: -0.250 local terms energy: -258.584667 where: bonds (distance) C4'-P energy: -46.770 bonds (distance) P-C4' energy: -55.122 flat angles C4'-P-C4' energy: -60.718 flat angles P-C4'-P energy: -36.980 tors. eta vs tors. theta energy: -58.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -671.986508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.986508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.986508 (E_RNA) where: Base-Base interactions energy: -418.700 where: short stacking energy: -196.790 Base-Backbone interact. energy: -1.533 local terms energy: -251.754340 where: bonds (distance) C4'-P energy: -53.994 bonds (distance) P-C4' energy: -52.963 flat angles C4'-P-C4' energy: -47.661 flat angles P-C4'-P energy: -44.977 tors. eta vs tors. theta energy: -52.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -545.207512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.207512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.207512 (E_RNA) where: Base-Base interactions energy: -313.423 where: short stacking energy: -165.523 Base-Backbone interact. energy: -1.039 local terms energy: -230.745743 where: bonds (distance) C4'-P energy: -55.416 bonds (distance) P-C4' energy: -57.994 flat angles C4'-P-C4' energy: -54.861 flat angles P-C4'-P energy: -36.267 tors. eta vs tors. theta energy: -26.209 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: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -364.869656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.869656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.869656 (E_RNA) where: Base-Base interactions energy: -187.311 where: short stacking energy: -112.785 Base-Backbone interact. energy: 4.271 local terms energy: -181.829546 where: bonds (distance) C4'-P energy: -55.149 bonds (distance) P-C4' energy: -61.805 flat angles C4'-P-C4' energy: -39.053 flat angles P-C4'-P energy: -14.948 tors. eta vs tors. theta energy: -10.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -277.306383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.306383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.306383 (E_RNA) where: Base-Base interactions energy: -105.572 where: short stacking energy: -80.891 Base-Backbone interact. energy: -0.741 local terms energy: -170.993493 where: bonds (distance) C4'-P energy: -48.256 bonds (distance) P-C4' energy: -65.245 flat angles C4'-P-C4' energy: -40.836 flat angles P-C4'-P energy: -18.313 tors. eta vs tors. theta energy: 1.658 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: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1061.642373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.642373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.642373 (E_RNA) where: Base-Base interactions energy: -748.502 where: short stacking energy: -309.044 Base-Backbone interact. energy: -1.227 local terms energy: -311.913415 where: bonds (distance) C4'-P energy: -58.518 bonds (distance) P-C4' energy: -58.247 flat angles C4'-P-C4' energy: -65.017 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -80.571 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: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -995.907467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.907467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.907467 (E_RNA) where: Base-Base interactions energy: -681.721 where: short stacking energy: -301.645 Base-Backbone interact. energy: -2.601 local terms energy: -311.585739 where: bonds (distance) C4'-P energy: -62.602 bonds (distance) P-C4' energy: -57.222 flat angles C4'-P-C4' energy: -67.872 flat angles P-C4'-P energy: -45.279 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: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -954.239762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.239762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.239762 (E_RNA) where: Base-Base interactions energy: -648.674 where: short stacking energy: -304.559 Base-Backbone interact. energy: -1.602 local terms energy: -303.963743 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -47.803 flat angles C4'-P-C4' energy: -72.748 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -79.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -851.764200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.764200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.764200 (E_RNA) where: Base-Base interactions energy: -544.282 where: short stacking energy: -242.910 Base-Backbone interact. energy: -1.323 local terms energy: -306.158248 where: bonds (distance) C4'-P energy: -66.392 bonds (distance) P-C4' energy: -65.846 flat angles C4'-P-C4' energy: -61.356 flat angles P-C4'-P energy: -40.032 tors. eta vs tors. theta energy: -72.533 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: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -778.971957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.971957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.971957 (E_RNA) where: Base-Base interactions energy: -502.490 where: short stacking energy: -228.666 Base-Backbone interact. energy: -0.663 local terms energy: -275.819038 where: bonds (distance) C4'-P energy: -67.704 bonds (distance) P-C4' energy: -60.989 flat angles C4'-P-C4' energy: -47.182 flat angles P-C4'-P energy: -34.564 tors. eta vs tors. theta energy: -65.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -806.101731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.101731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.101731 (E_RNA) where: Base-Base interactions energy: -531.030 where: short stacking energy: -215.793 Base-Backbone interact. energy: 0.362 local terms energy: -275.433297 where: bonds (distance) C4'-P energy: -56.391 bonds (distance) P-C4' energy: -59.180 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -44.703 tors. eta vs tors. theta energy: -55.922 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: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -626.457424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.457424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.457424 (E_RNA) where: Base-Base interactions energy: -394.550 where: short stacking energy: -194.380 Base-Backbone interact. energy: 0.890 local terms energy: -232.797170 where: bonds (distance) C4'-P energy: -37.307 bonds (distance) P-C4' energy: -62.093 flat angles C4'-P-C4' energy: -53.327 flat angles P-C4'-P energy: -28.024 tors. eta vs tors. theta energy: -52.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -543.204194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.204194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.204194 (E_RNA) where: Base-Base interactions energy: -322.699 where: short stacking energy: -178.084 Base-Backbone interact. energy: 1.763 local terms energy: -222.267987 where: bonds (distance) C4'-P energy: -49.607 bonds (distance) P-C4' energy: -48.628 flat angles C4'-P-C4' energy: -52.372 flat angles P-C4'-P energy: -34.105 tors. eta vs tors. theta energy: -37.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -395.599297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.599297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.599297 (E_RNA) where: Base-Base interactions energy: -220.981 where: short stacking energy: -121.649 Base-Backbone interact. energy: 0.184 local terms energy: -174.801863 where: bonds (distance) C4'-P energy: -54.426 bonds (distance) P-C4' energy: -45.417 flat angles C4'-P-C4' energy: -34.434 flat angles P-C4'-P energy: -32.256 tors. eta vs tors. theta energy: -8.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -259.402085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.402085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.402085 (E_RNA) where: Base-Base interactions energy: -104.498 where: short stacking energy: -93.286 Base-Backbone interact. energy: 0.522 local terms energy: -155.425882 where: bonds (distance) C4'-P energy: -55.193 bonds (distance) P-C4' energy: -39.816 flat angles C4'-P-C4' energy: -43.250 flat angles P-C4'-P energy: -22.686 tors. eta vs tors. theta energy: 5.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1060.135021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.135021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.135021 (E_RNA) where: Base-Base interactions energy: -728.664 where: short stacking energy: -305.363 Base-Backbone interact. energy: 0.123 local terms energy: -331.594728 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -67.516 flat angles C4'-P-C4' energy: -74.259 flat angles P-C4'-P energy: -44.777 tors. eta vs tors. theta energy: -83.087 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: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1011.847188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.847188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.847188 (E_RNA) where: Base-Base interactions energy: -688.893 where: short stacking energy: -296.497 Base-Backbone interact. energy: -0.616 local terms energy: -322.338689 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -63.057 flat angles C4'-P-C4' energy: -71.212 flat angles P-C4'-P energy: -41.333 tors. eta vs tors. theta energy: -85.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -955.539845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.539845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.539845 (E_RNA) where: Base-Base interactions energy: -663.037 where: short stacking energy: -283.685 Base-Backbone interact. energy: 1.689 local terms energy: -294.191681 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -72.803 flat angles P-C4'-P energy: -29.599 tors. eta vs tors. theta energy: -71.822 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: 159 Temperature: 1.050000 Total energy: -860.301232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.301232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.301232 (E_RNA) where: Base-Base interactions energy: -551.523 where: short stacking energy: -254.410 Base-Backbone interact. energy: -0.156 local terms energy: -308.622018 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -61.757 flat angles C4'-P-C4' energy: -74.959 flat angles P-C4'-P energy: -40.830 tors. eta vs tors. theta energy: -63.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -819.554882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.554882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.554882 (E_RNA) where: Base-Base interactions energy: -528.046 where: short stacking energy: -255.869 Base-Backbone interact. energy: 0.606 local terms energy: -292.114527 where: bonds (distance) C4'-P energy: -67.852 bonds (distance) P-C4' energy: -53.267 flat angles C4'-P-C4' energy: -57.533 flat angles P-C4'-P energy: -36.787 tors. eta vs tors. theta energy: -76.676 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: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -777.957969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.957969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.957969 (E_RNA) where: Base-Base interactions energy: -514.642 where: short stacking energy: -217.247 Base-Backbone interact. energy: -2.142 local terms energy: -261.174292 where: bonds (distance) C4'-P energy: -55.711 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -56.047 flat angles P-C4'-P energy: -28.675 tors. eta vs tors. theta energy: -55.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -672.751018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.751018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.751018 (E_RNA) where: Base-Base interactions energy: -409.841 where: short stacking energy: -189.694 Base-Backbone interact. energy: -1.053 local terms energy: -261.856759 where: bonds (distance) C4'-P energy: -59.052 bonds (distance) P-C4' energy: -58.034 flat angles C4'-P-C4' energy: -57.395 flat angles P-C4'-P energy: -38.729 tors. eta vs tors. theta energy: -48.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -506.800488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.800488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.800488 (E_RNA) where: Base-Base interactions energy: -295.879 where: short stacking energy: -136.122 Base-Backbone interact. energy: 0.275 local terms energy: -211.196842 where: bonds (distance) C4'-P energy: -48.989 bonds (distance) P-C4' energy: -60.792 flat angles C4'-P-C4' energy: -47.598 flat angles P-C4'-P energy: -35.879 tors. eta vs tors. theta energy: -17.940 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: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -384.515885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.515885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.515885 (E_RNA) where: Base-Base interactions energy: -188.697 where: short stacking energy: -104.078 Base-Backbone interact. energy: 0.021 local terms energy: -195.839521 where: bonds (distance) C4'-P energy: -55.839 bonds (distance) P-C4' energy: -64.465 flat angles C4'-P-C4' energy: -42.011 flat angles P-C4'-P energy: -27.633 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -252.488260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.488260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.488260 (E_RNA) where: Base-Base interactions energy: -81.091 where: short stacking energy: -71.868 Base-Backbone interact. energy: -1.107 local terms energy: -170.290443 where: bonds (distance) C4'-P energy: -44.734 bonds (distance) P-C4' energy: -59.195 flat angles C4'-P-C4' energy: -50.885 flat angles P-C4'-P energy: -28.029 tors. eta vs tors. theta energy: 12.552 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: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1058.681790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.681790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.681790 (E_RNA) where: Base-Base interactions energy: -746.471 where: short stacking energy: -318.956 Base-Backbone interact. energy: -1.149 local terms energy: -311.061816 where: bonds (distance) C4'-P energy: -54.485 bonds (distance) P-C4' energy: -62.648 flat angles C4'-P-C4' energy: -70.036 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: -84.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -990.194546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.194546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.194546 (E_RNA) where: Base-Base interactions energy: -678.828 where: short stacking energy: -302.735 Base-Backbone interact. energy: -1.498 local terms energy: -309.869232 where: bonds (distance) C4'-P energy: -58.271 bonds (distance) P-C4' energy: -58.005 flat angles C4'-P-C4' energy: -68.390 flat angles P-C4'-P energy: -47.938 tors. eta vs tors. theta energy: -77.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -938.256410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.256410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.256410 (E_RNA) where: Base-Base interactions energy: -634.251 where: short stacking energy: -264.969 Base-Backbone interact. energy: -0.422 local terms energy: -303.583667 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -68.574 flat angles C4'-P-C4' energy: -63.005 flat angles P-C4'-P energy: -47.754 tors. eta vs tors. theta energy: -68.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -845.511792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.511792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.511792 (E_RNA) where: Base-Base interactions energy: -575.240 where: short stacking energy: -267.222 Base-Backbone interact. energy: -1.824 local terms energy: -268.448090 where: bonds (distance) C4'-P energy: -41.805 bonds (distance) P-C4' energy: -59.180 flat angles C4'-P-C4' energy: -61.923 flat angles P-C4'-P energy: -39.391 tors. eta vs tors. theta energy: -66.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -829.629746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.629746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.629746 (E_RNA) where: Base-Base interactions energy: -537.674 where: short stacking energy: -243.409 Base-Backbone interact. energy: -2.212 local terms energy: -289.744225 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -66.453 flat angles C4'-P-C4' energy: -59.746 flat angles P-C4'-P energy: -44.224 tors. eta vs tors. theta energy: -67.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -795.500366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.500366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.500366 (E_RNA) where: Base-Base interactions energy: -519.464 where: short stacking energy: -235.184 Base-Backbone interact. energy: -0.510 local terms energy: -275.526138 where: bonds (distance) C4'-P energy: -49.388 bonds (distance) P-C4' energy: -52.458 flat angles C4'-P-C4' energy: -73.653 flat angles P-C4'-P energy: -34.923 tors. eta vs tors. theta energy: -65.104 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: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -681.784602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.784602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.784602 (E_RNA) where: Base-Base interactions energy: -439.849 where: short stacking energy: -208.513 Base-Backbone interact. energy: -0.432 local terms energy: -241.503588 where: bonds (distance) C4'-P energy: -51.273 bonds (distance) P-C4' energy: -58.033 flat angles C4'-P-C4' energy: -57.876 flat angles P-C4'-P energy: -27.037 tors. eta vs tors. theta energy: -47.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -493.050608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.050608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.050608 (E_RNA) where: Base-Base interactions energy: -270.590 where: short stacking energy: -130.813 Base-Backbone interact. energy: 0.196 local terms energy: -222.656470 where: bonds (distance) C4'-P energy: -54.040 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -59.367 flat angles P-C4'-P energy: -35.003 tors. eta vs tors. theta energy: -8.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -367.925067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.925067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.925067 (E_RNA) where: Base-Base interactions energy: -183.341 where: short stacking energy: -96.432 Base-Backbone interact. energy: 2.011 local terms energy: -186.595871 where: bonds (distance) C4'-P energy: -45.060 bonds (distance) P-C4' energy: -54.033 flat angles C4'-P-C4' energy: -63.094 flat angles P-C4'-P energy: -25.903 tors. eta vs tors. theta energy: 1.495 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: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -300.539256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.539256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.539256 (E_RNA) where: Base-Base interactions energy: -118.258 where: short stacking energy: -76.761 Base-Backbone interact. energy: 1.936 local terms energy: -184.217450 where: bonds (distance) C4'-P energy: -52.810 bonds (distance) P-C4' energy: -53.684 flat angles C4'-P-C4' energy: -52.188 flat angles P-C4'-P energy: -32.780 tors. eta vs tors. theta energy: 7.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1069.912749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.912749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.912749 (E_RNA) where: Base-Base interactions energy: -739.403 where: short stacking energy: -327.371 Base-Backbone interact. energy: -1.182 local terms energy: -329.327789 where: bonds (distance) C4'-P energy: -52.324 bonds (distance) P-C4' energy: -70.676 flat angles C4'-P-C4' energy: -70.546 flat angles P-C4'-P energy: -50.280 tors. eta vs tors. theta energy: -85.501 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: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -994.231489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.231489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.231489 (E_RNA) where: Base-Base interactions energy: -673.545 where: short stacking energy: -284.563 Base-Backbone interact. energy: -2.002 local terms energy: -318.684333 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -63.561 flat angles C4'-P-C4' energy: -67.400 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: -82.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -928.789573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.789573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.789573 (E_RNA) where: Base-Base interactions energy: -620.038 where: short stacking energy: -262.166 Base-Backbone interact. energy: -0.413 local terms energy: -308.338209 where: bonds (distance) C4'-P energy: -63.656 bonds (distance) P-C4' energy: -64.078 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -69.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -840.913074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.913074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.913074 (E_RNA) where: Base-Base interactions energy: -565.463 where: short stacking energy: -254.594 Base-Backbone interact. energy: 1.001 local terms energy: -276.450291 where: bonds (distance) C4'-P energy: -52.474 bonds (distance) P-C4' energy: -61.707 flat angles C4'-P-C4' energy: -61.545 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: -64.044 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: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -777.278452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.278452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.278452 (E_RNA) where: Base-Base interactions energy: -490.668 where: short stacking energy: -234.558 Base-Backbone interact. energy: -2.272 local terms energy: -284.337540 where: bonds (distance) C4'-P energy: -61.564 bonds (distance) P-C4' energy: -71.086 flat angles C4'-P-C4' energy: -67.040 flat angles P-C4'-P energy: -23.693 tors. eta vs tors. theta energy: -60.955 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: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -770.478680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.478680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.478680 (E_RNA) where: Base-Base interactions energy: -503.777 where: short stacking energy: -237.346 Base-Backbone interact. energy: 0.113 local terms energy: -266.815096 where: bonds (distance) C4'-P energy: -50.332 bonds (distance) P-C4' energy: -50.294 flat angles C4'-P-C4' energy: -58.478 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -60.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -671.650384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.650384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.650384 (E_RNA) where: Base-Base interactions energy: -409.411 where: short stacking energy: -205.981 Base-Backbone interact. energy: -1.388 local terms energy: -260.851554 where: bonds (distance) C4'-P energy: -52.338 bonds (distance) P-C4' energy: -60.716 flat angles C4'-P-C4' energy: -55.967 flat angles P-C4'-P energy: -37.393 tors. eta vs tors. theta energy: -54.437 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: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -464.055688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.055688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.055688 (E_RNA) where: Base-Base interactions energy: -256.641 where: short stacking energy: -139.505 Base-Backbone interact. energy: -0.463 local terms energy: -206.951517 where: bonds (distance) C4'-P energy: -48.164 bonds (distance) P-C4' energy: -51.800 flat angles C4'-P-C4' energy: -53.808 flat angles P-C4'-P energy: -25.164 tors. eta vs tors. theta energy: -28.015 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: 161 Temperature: 1.300000 Total energy: -448.010202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.010202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.010202 (E_RNA) where: Base-Base interactions energy: -248.994 where: short stacking energy: -118.265 Base-Backbone interact. energy: 0.066 local terms energy: -199.082093 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -45.225 flat angles P-C4'-P energy: -38.905 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -285.387648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.387648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.387648 (E_RNA) where: Base-Base interactions energy: -104.792 where: short stacking energy: -68.233 Base-Backbone interact. energy: 2.890 local terms energy: -183.485288 where: bonds (distance) C4'-P energy: -63.263 bonds (distance) P-C4' energy: -58.324 flat angles C4'-P-C4' energy: -43.863 flat angles P-C4'-P energy: -29.344 tors. eta vs tors. theta energy: 11.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1094.470698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.470698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.470698 (E_RNA) where: Base-Base interactions energy: -744.184 where: short stacking energy: -317.763 Base-Backbone interact. energy: 0.146 local terms energy: -350.432686 where: bonds (distance) C4'-P energy: -67.055 bonds (distance) P-C4' energy: -73.581 flat angles C4'-P-C4' energy: -75.554 flat angles P-C4'-P energy: -45.292 tors. eta vs tors. theta energy: -88.952 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: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -969.961273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.961273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.961273 (E_RNA) where: Base-Base interactions energy: -665.261 where: short stacking energy: -277.303 Base-Backbone interact. energy: 1.031 local terms energy: -305.730800 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -59.650 flat angles C4'-P-C4' energy: -67.140 flat angles P-C4'-P energy: -46.632 tors. eta vs tors. theta energy: -71.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -925.974443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.974443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.974443 (E_RNA) where: Base-Base interactions energy: -636.545 where: short stacking energy: -270.287 Base-Backbone interact. energy: -0.883 local terms energy: -288.546379 where: bonds (distance) C4'-P energy: -52.644 bonds (distance) P-C4' energy: -53.213 flat angles C4'-P-C4' energy: -66.503 flat angles P-C4'-P energy: -41.151 tors. eta vs tors. theta energy: -75.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -866.415775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.415775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.415775 (E_RNA) where: Base-Base interactions energy: -563.251 where: short stacking energy: -281.612 Base-Backbone interact. energy: -1.283 local terms energy: -301.882173 where: bonds (distance) C4'-P energy: -61.049 bonds (distance) P-C4' energy: -63.061 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -36.752 tors. eta vs tors. theta energy: -73.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -788.408253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.408253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.408253 (E_RNA) where: Base-Base interactions energy: -512.223 where: short stacking energy: -245.520 Base-Backbone interact. energy: -0.459 local terms energy: -275.726122 where: bonds (distance) C4'-P energy: -47.352 bonds (distance) P-C4' energy: -62.165 flat angles C4'-P-C4' energy: -66.657 flat angles P-C4'-P energy: -34.639 tors. eta vs tors. theta energy: -64.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -790.997002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.997002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.997002 (E_RNA) where: Base-Base interactions energy: -509.277 where: short stacking energy: -228.769 Base-Backbone interact. energy: -1.333 local terms energy: -280.387216 where: bonds (distance) C4'-P energy: -61.656 bonds (distance) P-C4' energy: -61.297 flat angles C4'-P-C4' energy: -62.974 flat angles P-C4'-P energy: -37.360 tors. eta vs tors. theta energy: -57.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -674.858599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.858599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.858599 (E_RNA) where: Base-Base interactions energy: -416.042 where: short stacking energy: -194.806 Base-Backbone interact. energy: 0.973 local terms energy: -259.789593 where: bonds (distance) C4'-P energy: -56.436 bonds (distance) P-C4' energy: -63.984 flat angles C4'-P-C4' energy: -49.919 flat angles P-C4'-P energy: -35.222 tors. eta vs tors. theta energy: -54.229 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: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -467.375097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.375097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.375097 (E_RNA) where: Base-Base interactions energy: -251.140 where: short stacking energy: -140.892 Base-Backbone interact. energy: -0.641 local terms energy: -215.594362 where: bonds (distance) C4'-P energy: -57.454 bonds (distance) P-C4' energy: -55.114 flat angles C4'-P-C4' energy: -38.707 flat angles P-C4'-P energy: -42.854 tors. eta vs tors. theta energy: -21.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -374.865509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.865509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.865509 (E_RNA) where: Base-Base interactions energy: -184.778 where: short stacking energy: -105.712 Base-Backbone interact. energy: -1.103 local terms energy: -188.983874 where: bonds (distance) C4'-P energy: -46.175 bonds (distance) P-C4' energy: -67.327 flat angles C4'-P-C4' energy: -54.260 flat angles P-C4'-P energy: -16.258 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -265.136898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.136898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.136898 (E_RNA) where: Base-Base interactions energy: -88.011 where: short stacking energy: -80.792 Base-Backbone interact. energy: -0.791 local terms energy: -176.335234 where: bonds (distance) C4'-P energy: -57.897 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -41.884 flat angles P-C4'-P energy: -19.816 tors. eta vs tors. theta energy: 4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1068.966482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.966482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.966482 (E_RNA) where: Base-Base interactions energy: -724.862 where: short stacking energy: -298.346 Base-Backbone interact. energy: -1.998 local terms energy: -342.106379 where: bonds (distance) C4'-P energy: -58.710 bonds (distance) P-C4' energy: -64.522 flat angles C4'-P-C4' energy: -75.566 flat angles P-C4'-P energy: -55.600 tors. eta vs tors. theta energy: -87.708 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: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -970.410486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.410486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.410486 (E_RNA) where: Base-Base interactions energy: -648.155 where: short stacking energy: -279.109 Base-Backbone interact. energy: -1.766 local terms energy: -320.489613 where: bonds (distance) C4'-P energy: -66.977 bonds (distance) P-C4' energy: -67.122 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -41.086 tors. eta vs tors. theta energy: -74.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -962.340807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.340807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.340807 (E_RNA) where: Base-Base interactions energy: -658.827 where: short stacking energy: -293.731 Base-Backbone interact. energy: 1.647 local terms energy: -305.160181 where: bonds (distance) C4'-P energy: -58.184 bonds (distance) P-C4' energy: -51.058 flat angles C4'-P-C4' energy: -74.309 flat angles P-C4'-P energy: -52.524 tors. eta vs tors. theta energy: -69.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -857.104103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.104103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.104103 (E_RNA) where: Base-Base interactions energy: -547.655 where: short stacking energy: -250.151 Base-Backbone interact. energy: -1.813 local terms energy: -307.636768 where: bonds (distance) C4'-P energy: -62.817 bonds (distance) P-C4' energy: -66.511 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -49.002 tors. eta vs tors. theta energy: -61.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -797.254246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.254246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.254246 (E_RNA) where: Base-Base interactions energy: -518.799 where: short stacking energy: -248.592 Base-Backbone interact. energy: 4.084 local terms energy: -282.539257 where: bonds (distance) C4'-P energy: -46.659 bonds (distance) P-C4' energy: -49.982 flat angles C4'-P-C4' energy: -65.172 flat angles P-C4'-P energy: -50.135 tors. eta vs tors. theta energy: -70.591 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: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -727.228918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.228918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.228918 (E_RNA) where: Base-Base interactions energy: -468.748 where: short stacking energy: -208.151 Base-Backbone interact. energy: 2.609 local terms energy: -261.090018 where: bonds (distance) C4'-P energy: -44.443 bonds (distance) P-C4' energy: -66.628 flat angles C4'-P-C4' energy: -56.447 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -46.302 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: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -652.377510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.377510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.377510 (E_RNA) where: Base-Base interactions energy: -410.670 where: short stacking energy: -188.465 Base-Backbone interact. energy: -1.138 local terms energy: -240.569453 where: bonds (distance) C4'-P energy: -56.119 bonds (distance) P-C4' energy: -52.978 flat angles C4'-P-C4' energy: -61.217 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -33.423 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: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -429.265046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.265046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.265046 (E_RNA) where: Base-Base interactions energy: -247.775 where: short stacking energy: -136.342 Base-Backbone interact. energy: 1.252 local terms energy: -182.741921 where: bonds (distance) C4'-P energy: -44.347 bonds (distance) P-C4' energy: -66.474 flat angles C4'-P-C4' energy: -43.606 flat angles P-C4'-P energy: -26.848 tors. eta vs tors. theta energy: -1.467 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: 163 Temperature: 1.300000 Total energy: -406.555346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.555346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.555346 (E_RNA) where: Base-Base interactions energy: -223.283 where: short stacking energy: -131.227 Base-Backbone interact. energy: -1.225 local terms energy: -182.047957 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -54.237 flat angles C4'-P-C4' energy: -51.757 flat angles P-C4'-P energy: -18.878 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -271.034701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.034701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.034701 (E_RNA) where: Base-Base interactions energy: -90.438 where: short stacking energy: -71.070 Base-Backbone interact. energy: -1.624 local terms energy: -178.971971 where: bonds (distance) C4'-P energy: -61.470 bonds (distance) P-C4' energy: -55.988 flat angles C4'-P-C4' energy: -43.919 flat angles P-C4'-P energy: -24.890 tors. eta vs tors. theta energy: 7.295 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: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1062.017537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.017537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.017537 (E_RNA) where: Base-Base interactions energy: -730.859 where: short stacking energy: -302.446 Base-Backbone interact. energy: -1.133 local terms energy: -330.025504 where: bonds (distance) C4'-P energy: -64.393 bonds (distance) P-C4' energy: -56.005 flat angles C4'-P-C4' energy: -75.092 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: -89.218 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: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -962.203705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.203705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.203705 (E_RNA) where: Base-Base interactions energy: -665.715 where: short stacking energy: -288.377 Base-Backbone interact. energy: 4.133 local terms energy: -300.621284 where: bonds (distance) C4'-P energy: -64.293 bonds (distance) P-C4' energy: -62.171 flat angles C4'-P-C4' energy: -62.585 flat angles P-C4'-P energy: -38.170 tors. eta vs tors. theta energy: -73.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -956.923964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.923964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.923964 (E_RNA) where: Base-Base interactions energy: -648.217 where: short stacking energy: -295.950 Base-Backbone interact. energy: -0.249 local terms energy: -308.457748 where: bonds (distance) C4'-P energy: -68.020 bonds (distance) P-C4' energy: -60.215 flat angles C4'-P-C4' energy: -65.233 flat angles P-C4'-P energy: -40.827 tors. eta vs tors. theta energy: -74.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -855.118700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.118700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.118700 (E_RNA) where: Base-Base interactions energy: -559.986 where: short stacking energy: -275.275 Base-Backbone interact. energy: -2.211 local terms energy: -292.922120 where: bonds (distance) C4'-P energy: -50.268 bonds (distance) P-C4' energy: -70.730 flat angles C4'-P-C4' energy: -61.594 flat angles P-C4'-P energy: -39.784 tors. eta vs tors. theta energy: -70.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -763.476786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.476786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.476786 (E_RNA) where: Base-Base interactions energy: -506.861 where: short stacking energy: -225.007 Base-Backbone interact. energy: 0.949 local terms energy: -257.564528 where: bonds (distance) C4'-P energy: -53.105 bonds (distance) P-C4' energy: -48.679 flat angles C4'-P-C4' energy: -61.430 flat angles P-C4'-P energy: -35.161 tors. eta vs tors. theta energy: -59.190 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: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -781.228496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.228496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.228496 (E_RNA) where: Base-Base interactions energy: -512.604 where: short stacking energy: -239.626 Base-Backbone interact. energy: 1.380 local terms energy: -270.004225 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -54.200 flat angles P-C4'-P energy: -35.988 tors. eta vs tors. theta energy: -61.465 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: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -674.637564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.637564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.637564 (E_RNA) where: Base-Base interactions energy: -406.830 where: short stacking energy: -192.572 Base-Backbone interact. energy: -0.658 local terms energy: -267.150191 where: bonds (distance) C4'-P energy: -50.114 bonds (distance) P-C4' energy: -63.114 flat angles C4'-P-C4' energy: -61.573 flat angles P-C4'-P energy: -38.281 tors. eta vs tors. theta energy: -54.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -429.672117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.672117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.672117 (E_RNA) where: Base-Base interactions energy: -212.680 where: short stacking energy: -113.543 Base-Backbone interact. energy: -1.755 local terms energy: -215.237759 where: bonds (distance) C4'-P energy: -54.662 bonds (distance) P-C4' energy: -55.882 flat angles C4'-P-C4' energy: -50.786 flat angles P-C4'-P energy: -35.562 tors. eta vs tors. theta energy: -18.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -390.641822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.641822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.641822 (E_RNA) where: Base-Base interactions energy: -203.837 where: short stacking energy: -134.618 Base-Backbone interact. energy: 4.827 local terms energy: -191.632358 where: bonds (distance) C4'-P energy: -48.862 bonds (distance) P-C4' energy: -49.239 flat angles C4'-P-C4' energy: -51.185 flat angles P-C4'-P energy: -20.579 tors. eta vs tors. theta energy: -21.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -261.362967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.362967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.362967 (E_RNA) where: Base-Base interactions energy: -82.093 where: short stacking energy: -71.449 Base-Backbone interact. energy: -0.417 local terms energy: -178.853139 where: bonds (distance) C4'-P energy: -47.349 bonds (distance) P-C4' energy: -59.367 flat angles C4'-P-C4' energy: -51.841 flat angles P-C4'-P energy: -30.672 tors. eta vs tors. theta energy: 10.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1056.436182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.436182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.436182 (E_RNA) where: Base-Base interactions energy: -728.025 where: short stacking energy: -305.851 Base-Backbone interact. energy: -0.043 local terms energy: -328.367471 where: bonds (distance) C4'-P energy: -69.932 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -73.767 flat angles P-C4'-P energy: -48.029 tors. eta vs tors. theta energy: -77.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -972.625105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.625105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.625105 (E_RNA) where: Base-Base interactions energy: -663.780 where: short stacking energy: -287.866 Base-Backbone interact. energy: -2.309 local terms energy: -306.535997 where: bonds (distance) C4'-P energy: -61.343 bonds (distance) P-C4' energy: -57.407 flat angles C4'-P-C4' energy: -64.763 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -71.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -938.925349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.925349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.925349 (E_RNA) where: Base-Base interactions energy: -655.971 where: short stacking energy: -278.124 Base-Backbone interact. energy: -2.261 local terms energy: -280.693193 where: bonds (distance) C4'-P energy: -44.498 bonds (distance) P-C4' energy: -58.510 flat angles C4'-P-C4' energy: -62.639 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -67.486 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: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -860.731205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.731205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.731205 (E_RNA) where: Base-Base interactions energy: -551.474 where: short stacking energy: -260.810 Base-Backbone interact. energy: -1.662 local terms energy: -307.595349 where: bonds (distance) C4'-P energy: -59.940 bonds (distance) P-C4' energy: -64.884 flat angles C4'-P-C4' energy: -61.126 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -68.759 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: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -774.066540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.066540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.066540 (E_RNA) where: Base-Base interactions energy: -483.588 where: short stacking energy: -216.827 Base-Backbone interact. energy: -2.115 local terms energy: -288.363679 where: bonds (distance) C4'-P energy: -66.818 bonds (distance) P-C4' energy: -54.493 flat angles C4'-P-C4' energy: -65.786 flat angles P-C4'-P energy: -48.282 tors. eta vs tors. theta energy: -52.985 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: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -776.935703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.935703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.935703 (E_RNA) where: Base-Base interactions energy: -489.035 where: short stacking energy: -218.119 Base-Backbone interact. energy: 6.857 local terms energy: -294.757582 where: bonds (distance) C4'-P energy: -65.990 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -69.693 flat angles P-C4'-P energy: -36.798 tors. eta vs tors. theta energy: -59.850 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: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -701.600194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.600194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.600194 (E_RNA) where: Base-Base interactions energy: -439.645 where: short stacking energy: -215.403 Base-Backbone interact. energy: -2.223 local terms energy: -259.732524 where: bonds (distance) C4'-P energy: -45.988 bonds (distance) P-C4' energy: -61.192 flat angles C4'-P-C4' energy: -54.622 flat angles P-C4'-P energy: -40.580 tors. eta vs tors. theta energy: -57.349 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: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -398.952864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.952864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.952864 (E_RNA) where: Base-Base interactions energy: -202.156 where: short stacking energy: -130.223 Base-Backbone interact. energy: 3.393 local terms energy: -200.190150 where: bonds (distance) C4'-P energy: -52.372 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -53.226 flat angles P-C4'-P energy: -26.770 tors. eta vs tors. theta energy: -8.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -427.758079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.758079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.758079 (E_RNA) where: Base-Base interactions energy: -229.763 where: short stacking energy: -139.765 Base-Backbone interact. energy: -0.046 local terms energy: -197.949231 where: bonds (distance) C4'-P energy: -61.128 bonds (distance) P-C4' energy: -53.872 flat angles C4'-P-C4' energy: -51.212 flat angles P-C4'-P energy: -21.006 tors. eta vs tors. theta energy: -10.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -277.857961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.857961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.857961 (E_RNA) where: Base-Base interactions energy: -110.968 where: short stacking energy: -102.428 Base-Backbone interact. energy: -2.177 local terms energy: -164.713114 where: bonds (distance) C4'-P energy: -46.106 bonds (distance) P-C4' energy: -54.239 flat angles C4'-P-C4' energy: -51.236 flat angles P-C4'-P energy: -17.016 tors. eta vs tors. theta energy: 3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1080.107689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.107689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.107689 (E_RNA) where: Base-Base interactions energy: -756.314 where: short stacking energy: -315.427 Base-Backbone interact. energy: 1.620 local terms energy: -325.413918 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -65.426 flat angles C4'-P-C4' energy: -65.786 flat angles P-C4'-P energy: -48.241 tors. eta vs tors. theta energy: -86.140 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: 2, replica: 2 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -991.507319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.507319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.507319 (E_RNA) where: Base-Base interactions energy: -674.383 where: short stacking energy: -305.420 Base-Backbone interact. energy: -1.936 local terms energy: -315.187671 where: bonds (distance) C4'-P energy: -60.463 bonds (distance) P-C4' energy: -55.081 flat angles C4'-P-C4' energy: -67.791 flat angles P-C4'-P energy: -50.222 tors. eta vs tors. theta energy: -81.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -923.860610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.860610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.860610 (E_RNA) where: Base-Base interactions energy: -627.058 where: short stacking energy: -267.883 Base-Backbone interact. energy: -0.526 local terms energy: -296.276716 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -58.934 flat angles P-C4'-P energy: -42.101 tors. eta vs tors. theta energy: -71.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -871.180678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.180678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.180678 (E_RNA) where: Base-Base interactions energy: -581.706 where: short stacking energy: -281.582 Base-Backbone interact. energy: -0.929 local terms energy: -288.545941 where: bonds (distance) C4'-P energy: -47.114 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -41.898 tors. eta vs tors. theta energy: -75.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -787.539876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.539876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.539876 (E_RNA) where: Base-Base interactions energy: -513.470 where: short stacking energy: -240.811 Base-Backbone interact. energy: -0.621 local terms energy: -273.449470 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -36.228 tors. eta vs tors. theta energy: -64.477 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: 166 Temperature: 1.150000 Total energy: -715.829531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.829531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.829531 (E_RNA) where: Base-Base interactions energy: -464.427 where: short stacking energy: -196.051 Base-Backbone interact. energy: 2.114 local terms energy: -253.516090 where: bonds (distance) C4'-P energy: -51.978 bonds (distance) P-C4' energy: -61.249 flat angles C4'-P-C4' energy: -67.429 flat angles P-C4'-P energy: -31.857 tors. eta vs tors. theta energy: -41.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -693.906601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.906601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.906601 (E_RNA) where: Base-Base interactions energy: -442.981 where: short stacking energy: -227.494 Base-Backbone interact. energy: -0.059 local terms energy: -250.866157 where: bonds (distance) C4'-P energy: -54.529 bonds (distance) P-C4' energy: -54.231 flat angles C4'-P-C4' energy: -54.748 flat angles P-C4'-P energy: -30.216 tors. eta vs tors. theta energy: -57.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -444.471820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.471820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.471820 (E_RNA) where: Base-Base interactions energy: -237.585 where: short stacking energy: -137.051 Base-Backbone interact. energy: -2.996 local terms energy: -203.890557 where: bonds (distance) C4'-P energy: -52.314 bonds (distance) P-C4' energy: -57.809 flat angles C4'-P-C4' energy: -44.948 flat angles P-C4'-P energy: -30.402 tors. eta vs tors. theta energy: -18.419 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: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -432.757475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.757475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.757475 (E_RNA) where: Base-Base interactions energy: -248.998 where: short stacking energy: -121.864 Base-Backbone interact. energy: 2.329 local terms energy: -186.088945 where: bonds (distance) C4'-P energy: -48.976 bonds (distance) P-C4' energy: -62.169 flat angles C4'-P-C4' energy: -41.576 flat angles P-C4'-P energy: -25.733 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -273.201172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.201172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.201172 (E_RNA) where: Base-Base interactions energy: -95.277 where: short stacking energy: -67.962 Base-Backbone interact. energy: -0.289 local terms energy: -177.634534 where: bonds (distance) C4'-P energy: -57.897 bonds (distance) P-C4' energy: -59.388 flat angles C4'-P-C4' energy: -36.861 flat angles P-C4'-P energy: -29.888 tors. eta vs tors. theta energy: 6.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1074.633560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.633560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.633560 (E_RNA) where: Base-Base interactions energy: -735.072 where: short stacking energy: -316.204 Base-Backbone interact. energy: -0.078 local terms energy: -339.483365 where: bonds (distance) C4'-P energy: -69.007 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -73.366 flat angles P-C4'-P energy: -46.510 tors. eta vs tors. theta energy: -86.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -981.020516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.020516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.020516 (E_RNA) where: Base-Base interactions energy: -661.876 where: short stacking energy: -292.302 Base-Backbone interact. energy: -1.766 local terms energy: -317.378894 where: bonds (distance) C4'-P energy: -64.366 bonds (distance) P-C4' energy: -70.123 flat angles C4'-P-C4' energy: -71.665 flat angles P-C4'-P energy: -35.625 tors. eta vs tors. theta energy: -75.599 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: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -938.184546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.184546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.184546 (E_RNA) where: Base-Base interactions energy: -639.400 where: short stacking energy: -265.214 Base-Backbone interact. energy: -0.457 local terms energy: -298.327272 where: bonds (distance) C4'-P energy: -55.174 bonds (distance) P-C4' energy: -58.654 flat angles C4'-P-C4' energy: -71.546 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -58.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -859.930184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.930184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.930184 (E_RNA) where: Base-Base interactions energy: -566.240 where: short stacking energy: -275.919 Base-Backbone interact. energy: 0.633 local terms energy: -294.322711 where: bonds (distance) C4'-P energy: -47.328 bonds (distance) P-C4' energy: -56.314 flat angles C4'-P-C4' energy: -73.551 flat angles P-C4'-P energy: -37.761 tors. eta vs tors. theta energy: -79.369 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: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -785.807205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.807205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.807205 (E_RNA) where: Base-Base interactions energy: -520.067 where: short stacking energy: -228.735 Base-Backbone interact. energy: -0.072 local terms energy: -265.668015 where: bonds (distance) C4'-P energy: -54.003 bonds (distance) P-C4' energy: -62.016 flat angles C4'-P-C4' energy: -55.308 flat angles P-C4'-P energy: -35.761 tors. eta vs tors. theta energy: -58.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -711.252129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.252129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.252129 (E_RNA) where: Base-Base interactions energy: -448.465 where: short stacking energy: -226.370 Base-Backbone interact. energy: 0.373 local terms energy: -263.160807 where: bonds (distance) C4'-P energy: -56.969 bonds (distance) P-C4' energy: -63.801 flat angles C4'-P-C4' energy: -52.840 flat angles P-C4'-P energy: -30.979 tors. eta vs tors. theta energy: -58.571 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: 167 Temperature: 1.200000 Total energy: -715.949127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.949127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.949127 (E_RNA) where: Base-Base interactions energy: -473.596 where: short stacking energy: -196.470 Base-Backbone interact. energy: 1.557 local terms energy: -243.910674 where: bonds (distance) C4'-P energy: -50.414 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -47.211 flat angles P-C4'-P energy: -34.915 tors. eta vs tors. theta energy: -48.346 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: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -445.161894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.161894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.161894 (E_RNA) where: Base-Base interactions energy: -214.965 where: short stacking energy: -113.521 Base-Backbone interact. energy: -1.021 local terms energy: -229.176218 where: bonds (distance) C4'-P energy: -64.458 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -45.516 flat angles P-C4'-P energy: -37.156 tors. eta vs tors. theta energy: -18.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -387.103875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.103875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.103875 (E_RNA) where: Base-Base interactions energy: -202.933 where: short stacking energy: -121.199 Base-Backbone interact. energy: 2.880 local terms energy: -187.050898 where: bonds (distance) C4'-P energy: -47.569 bonds (distance) P-C4' energy: -58.965 flat angles C4'-P-C4' energy: -39.944 flat angles P-C4'-P energy: -28.824 tors. eta vs tors. theta energy: -11.749 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: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -259.534429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.534429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.534429 (E_RNA) where: Base-Base interactions energy: -108.087 where: short stacking energy: -85.016 Base-Backbone interact. energy: 4.740 local terms energy: -156.187486 where: bonds (distance) C4'-P energy: -25.320 bonds (distance) P-C4' energy: -61.500 flat angles C4'-P-C4' energy: -44.165 flat angles P-C4'-P energy: -31.804 tors. eta vs tors. theta energy: 6.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1070.766405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.766405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.766405 (E_RNA) where: Base-Base interactions energy: -746.984 where: short stacking energy: -306.979 Base-Backbone interact. energy: -0.872 local terms energy: -322.910045 where: bonds (distance) C4'-P energy: -69.146 bonds (distance) P-C4' energy: -55.271 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -85.461 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: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -998.636875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.636875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.636875 (E_RNA) where: Base-Base interactions energy: -668.504 where: short stacking energy: -305.873 Base-Backbone interact. energy: -1.291 local terms energy: -328.842683 where: bonds (distance) C4'-P energy: -67.896 bonds (distance) P-C4' energy: -55.753 flat angles C4'-P-C4' energy: -77.401 flat angles P-C4'-P energy: -46.275 tors. eta vs tors. theta energy: -81.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -962.140029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.140029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.140029 (E_RNA) where: Base-Base interactions energy: -656.749 where: short stacking energy: -273.023 Base-Backbone interact. energy: -1.181 local terms energy: -304.209315 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -66.033 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -65.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -862.889412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.889412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.889412 (E_RNA) where: Base-Base interactions energy: -553.811 where: short stacking energy: -275.004 Base-Backbone interact. energy: -1.131 local terms energy: -307.946788 where: bonds (distance) C4'-P energy: -60.522 bonds (distance) P-C4' energy: -64.733 flat angles C4'-P-C4' energy: -60.412 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: -78.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -786.275658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.275658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.275658 (E_RNA) where: Base-Base interactions energy: -495.442 where: short stacking energy: -230.891 Base-Backbone interact. energy: -1.788 local terms energy: -289.044926 where: bonds (distance) C4'-P energy: -61.965 bonds (distance) P-C4' energy: -64.829 flat angles C4'-P-C4' energy: -60.593 flat angles P-C4'-P energy: -42.334 tors. eta vs tors. theta energy: -59.324 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: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -718.266329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.266329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.266329 (E_RNA) where: Base-Base interactions energy: -444.381 where: short stacking energy: -215.460 Base-Backbone interact. energy: 0.024 local terms energy: -273.909768 where: bonds (distance) C4'-P energy: -50.616 bonds (distance) P-C4' energy: -63.774 flat angles C4'-P-C4' energy: -64.274 flat angles P-C4'-P energy: -35.876 tors. eta vs tors. theta energy: -59.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -729.953749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.953749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.953749 (E_RNA) where: Base-Base interactions energy: -468.107 where: short stacking energy: -217.574 Base-Backbone interact. energy: -0.176 local terms energy: -261.670382 where: bonds (distance) C4'-P energy: -49.570 bonds (distance) P-C4' energy: -53.090 flat angles C4'-P-C4' energy: -70.191 flat angles P-C4'-P energy: -39.747 tors. eta vs tors. theta energy: -49.073 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: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -443.494883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.494883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.494883 (E_RNA) where: Base-Base interactions energy: -235.907 where: short stacking energy: -129.044 Base-Backbone interact. energy: -0.539 local terms energy: -207.049488 where: bonds (distance) C4'-P energy: -56.040 bonds (distance) P-C4' energy: -55.366 flat angles C4'-P-C4' energy: -56.120 flat angles P-C4'-P energy: -31.208 tors. eta vs tors. theta energy: -8.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -397.205912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.205912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.205912 (E_RNA) where: Base-Base interactions energy: -198.769 where: short stacking energy: -110.913 Base-Backbone interact. energy: -4.312 local terms energy: -194.124042 where: bonds (distance) C4'-P energy: -45.872 bonds (distance) P-C4' energy: -51.456 flat angles C4'-P-C4' energy: -49.009 flat angles P-C4'-P energy: -37.012 tors. eta vs tors. theta energy: -10.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -259.433492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.433492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.433492 (E_RNA) where: Base-Base interactions energy: -99.771 where: short stacking energy: -81.793 Base-Backbone interact. energy: 1.043 local terms energy: -160.705484 where: bonds (distance) C4'-P energy: -48.793 bonds (distance) P-C4' energy: -53.140 flat angles C4'-P-C4' energy: -51.230 flat angles P-C4'-P energy: -14.074 tors. eta vs tors. theta energy: 6.531 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: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1062.207769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.207769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.207769 (E_RNA) where: Base-Base interactions energy: -718.698 where: short stacking energy: -293.994 Base-Backbone interact. energy: 0.145 local terms energy: -343.654590 where: bonds (distance) C4'-P energy: -71.976 bonds (distance) P-C4' energy: -64.513 flat angles C4'-P-C4' energy: -68.032 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -94.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -996.763133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.763133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.763133 (E_RNA) where: Base-Base interactions energy: -679.568 where: short stacking energy: -301.533 Base-Backbone interact. energy: 0.352 local terms energy: -317.547055 where: bonds (distance) C4'-P energy: -59.587 bonds (distance) P-C4' energy: -69.169 flat angles C4'-P-C4' energy: -65.211 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -82.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -967.580211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.580211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.580211 (E_RNA) where: Base-Base interactions energy: -655.762 where: short stacking energy: -290.507 Base-Backbone interact. energy: 4.844 local terms energy: -316.661993 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -66.477 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: -80.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -854.631401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.631401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.631401 (E_RNA) where: Base-Base interactions energy: -549.704 where: short stacking energy: -254.488 Base-Backbone interact. energy: -0.797 local terms energy: -304.130330 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -64.242 flat angles P-C4'-P energy: -42.330 tors. eta vs tors. theta energy: -69.334 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: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -793.338203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.338203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.338203 (E_RNA) where: Base-Base interactions energy: -516.221 where: short stacking energy: -246.513 Base-Backbone interact. energy: 4.662 local terms energy: -281.779781 where: bonds (distance) C4'-P energy: -61.600 bonds (distance) P-C4' energy: -53.053 flat angles C4'-P-C4' energy: -65.222 flat angles P-C4'-P energy: -40.232 tors. eta vs tors. theta energy: -61.673 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: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -780.044532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.044532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.044532 (E_RNA) where: Base-Base interactions energy: -501.705 where: short stacking energy: -229.353 Base-Backbone interact. energy: -1.603 local terms energy: -276.737018 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -57.166 flat angles C4'-P-C4' energy: -62.365 flat angles P-C4'-P energy: -31.699 tors. eta vs tors. theta energy: -65.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -663.596586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.596586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.596586 (E_RNA) where: Base-Base interactions energy: -418.820 where: short stacking energy: -199.017 Base-Backbone interact. energy: -1.219 local terms energy: -243.557037 where: bonds (distance) C4'-P energy: -50.695 bonds (distance) P-C4' energy: -51.686 flat angles C4'-P-C4' energy: -54.484 flat angles P-C4'-P energy: -38.564 tors. eta vs tors. theta energy: -48.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -439.921469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.921469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.921469 (E_RNA) where: Base-Base interactions energy: -243.912 where: short stacking energy: -121.062 Base-Backbone interact. energy: -1.367 local terms energy: -194.642652 where: bonds (distance) C4'-P energy: -62.617 bonds (distance) P-C4' energy: -65.304 flat angles C4'-P-C4' energy: -41.420 flat angles P-C4'-P energy: -25.214 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -422.923823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.923823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.923823 (E_RNA) where: Base-Base interactions energy: -227.522 where: short stacking energy: -120.064 Base-Backbone interact. energy: -1.561 local terms energy: -193.840309 where: bonds (distance) C4'-P energy: -57.395 bonds (distance) P-C4' energy: -52.136 flat angles C4'-P-C4' energy: -48.775 flat angles P-C4'-P energy: -26.485 tors. eta vs tors. theta energy: -9.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -285.987286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.987286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.987286 (E_RNA) where: Base-Base interactions energy: -100.116 where: short stacking energy: -73.808 Base-Backbone interact. energy: -0.647 local terms energy: -185.224670 where: bonds (distance) C4'-P energy: -50.669 bonds (distance) P-C4' energy: -62.681 flat angles C4'-P-C4' energy: -55.573 flat angles P-C4'-P energy: -26.528 tors. eta vs tors. theta energy: 10.226 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: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1069.317535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.317535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.317535 (E_RNA) where: Base-Base interactions energy: -733.734 where: short stacking energy: -298.455 Base-Backbone interact. energy: -1.302 local terms energy: -334.281135 where: bonds (distance) C4'-P energy: -61.973 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -75.301 flat angles P-C4'-P energy: -48.778 tors. eta vs tors. theta energy: -83.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -991.058978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.058978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.058978 (E_RNA) where: Base-Base interactions energy: -668.904 where: short stacking energy: -291.405 Base-Backbone interact. energy: -1.639 local terms energy: -320.516112 where: bonds (distance) C4'-P energy: -62.787 bonds (distance) P-C4' energy: -59.101 flat angles C4'-P-C4' energy: -66.030 flat angles P-C4'-P energy: -54.108 tors. eta vs tors. theta energy: -78.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -956.368435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.368435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.368435 (E_RNA) where: Base-Base interactions energy: -651.584 where: short stacking energy: -299.672 Base-Backbone interact. energy: -0.095 local terms energy: -304.688885 where: bonds (distance) C4'-P energy: -63.476 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -71.574 flat angles P-C4'-P energy: -35.856 tors. eta vs tors. theta energy: -74.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -861.681991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.681991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.681991 (E_RNA) where: Base-Base interactions energy: -586.108 where: short stacking energy: -289.515 Base-Backbone interact. energy: -0.814 local terms energy: -274.760163 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -44.800 flat angles C4'-P-C4' energy: -61.851 flat angles P-C4'-P energy: -36.216 tors. eta vs tors. theta energy: -77.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -805.159753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.159753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.159753 (E_RNA) where: Base-Base interactions energy: -477.938 where: short stacking energy: -225.956 Base-Backbone interact. energy: -1.207 local terms energy: -326.014049 where: bonds (distance) C4'-P energy: -61.902 bonds (distance) P-C4' energy: -65.173 flat angles C4'-P-C4' energy: -71.833 flat angles P-C4'-P energy: -49.075 tors. eta vs tors. theta energy: -78.030 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: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -745.411377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.411377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.411377 (E_RNA) where: Base-Base interactions energy: -473.004 where: short stacking energy: -227.826 Base-Backbone interact. energy: 2.169 local terms energy: -274.576799 where: bonds (distance) C4'-P energy: -51.609 bonds (distance) P-C4' energy: -69.130 flat angles C4'-P-C4' energy: -55.258 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: -62.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -677.789494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.789494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.789494 (E_RNA) where: Base-Base interactions energy: -418.297 where: short stacking energy: -201.409 Base-Backbone interact. energy: 0.885 local terms energy: -260.377671 where: bonds (distance) C4'-P energy: -55.089 bonds (distance) P-C4' energy: -59.180 flat angles C4'-P-C4' energy: -58.209 flat angles P-C4'-P energy: -35.545 tors. eta vs tors. theta energy: -52.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -423.474733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.474733 (E_RNA) where: Base-Base interactions energy: -213.281 where: short stacking energy: -109.831 Base-Backbone interact. energy: -1.863 local terms energy: -208.330356 where: bonds (distance) C4'-P energy: -57.870 bonds (distance) P-C4' energy: -55.751 flat angles C4'-P-C4' energy: -50.520 flat angles P-C4'-P energy: -42.497 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -429.819503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.819503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.819503 (E_RNA) where: Base-Base interactions energy: -221.598 where: short stacking energy: -140.601 Base-Backbone interact. energy: 1.680 local terms energy: -209.901970 where: bonds (distance) C4'-P energy: -48.472 bonds (distance) P-C4' energy: -60.877 flat angles C4'-P-C4' energy: -51.689 flat angles P-C4'-P energy: -35.498 tors. eta vs tors. theta energy: -13.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -300.490992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.490992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.490992 (E_RNA) where: Base-Base interactions energy: -103.693 where: short stacking energy: -92.467 Base-Backbone interact. energy: 1.109 local terms energy: -197.906589 where: bonds (distance) C4'-P energy: -53.437 bonds (distance) P-C4' energy: -65.089 flat angles C4'-P-C4' energy: -43.182 flat angles P-C4'-P energy: -30.703 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1054.405473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.405473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.405473 (E_RNA) where: Base-Base interactions energy: -731.717 where: short stacking energy: -305.028 Base-Backbone interact. energy: -2.488 local terms energy: -320.200137 where: bonds (distance) C4'-P energy: -69.446 bonds (distance) P-C4' energy: -65.679 flat angles C4'-P-C4' energy: -60.304 flat angles P-C4'-P energy: -38.657 tors. eta vs tors. theta energy: -86.114 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: 171 Temperature: 0.950000 Total energy: -1008.682836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.682836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.682836 (E_RNA) where: Base-Base interactions energy: -681.732 where: short stacking energy: -302.724 Base-Backbone interact. energy: -1.844 local terms energy: -325.107114 where: bonds (distance) C4'-P energy: -57.607 bonds (distance) P-C4' energy: -72.430 flat angles C4'-P-C4' energy: -70.231 flat angles P-C4'-P energy: -45.819 tors. eta vs tors. theta energy: -79.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -967.965812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.965812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.965812 (E_RNA) where: Base-Base interactions energy: -650.579 where: short stacking energy: -293.781 Base-Backbone interact. energy: -0.644 local terms energy: -316.742063 where: bonds (distance) C4'-P energy: -71.391 bonds (distance) P-C4' energy: -69.000 flat angles C4'-P-C4' energy: -62.528 flat angles P-C4'-P energy: -34.813 tors. eta vs tors. theta energy: -79.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -878.252905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.252905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.252905 (E_RNA) where: Base-Base interactions energy: -571.793 where: short stacking energy: -255.686 Base-Backbone interact. energy: 0.652 local terms energy: -307.112717 where: bonds (distance) C4'-P energy: -61.459 bonds (distance) P-C4' energy: -67.258 flat angles C4'-P-C4' energy: -68.585 flat angles P-C4'-P energy: -27.907 tors. eta vs tors. theta energy: -81.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -834.864780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.864780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.864780 (E_RNA) where: Base-Base interactions energy: -531.036 where: short stacking energy: -261.381 Base-Backbone interact. energy: 0.265 local terms energy: -304.093531 where: bonds (distance) C4'-P energy: -73.522 bonds (distance) P-C4' energy: -54.177 flat angles C4'-P-C4' energy: -71.341 flat angles P-C4'-P energy: -40.679 tors. eta vs tors. theta energy: -64.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -716.514954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.514954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.514954 (E_RNA) where: Base-Base interactions energy: -459.700 where: short stacking energy: -214.881 Base-Backbone interact. energy: 1.278 local terms energy: -258.092839 where: bonds (distance) C4'-P energy: -55.308 bonds (distance) P-C4' energy: -54.636 flat angles C4'-P-C4' energy: -57.837 flat angles P-C4'-P energy: -42.570 tors. eta vs tors. theta energy: -47.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -688.234372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.234372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.234372 (E_RNA) where: Base-Base interactions energy: -430.455 where: short stacking energy: -205.456 Base-Backbone interact. energy: -0.479 local terms energy: -257.300363 where: bonds (distance) C4'-P energy: -59.110 bonds (distance) P-C4' energy: -53.528 flat angles C4'-P-C4' energy: -63.534 flat angles P-C4'-P energy: -33.308 tors. eta vs tors. theta energy: -47.821 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: 8, replica: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -458.034748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.034748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.034748 (E_RNA) where: Base-Base interactions energy: -273.184 where: short stacking energy: -122.262 Base-Backbone interact. energy: -1.033 local terms energy: -183.818350 where: bonds (distance) C4'-P energy: -52.964 bonds (distance) P-C4' energy: -48.409 flat angles C4'-P-C4' energy: -44.380 flat angles P-C4'-P energy: -28.433 tors. eta vs tors. theta energy: -9.633 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: 171 Temperature: 1.300000 Total energy: -414.819146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.819146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.819146 (E_RNA) where: Base-Base interactions energy: -218.186 where: short stacking energy: -100.334 Base-Backbone interact. energy: -2.099 local terms energy: -194.534579 where: bonds (distance) C4'-P energy: -54.691 bonds (distance) P-C4' energy: -58.248 flat angles C4'-P-C4' energy: -48.552 flat angles P-C4'-P energy: -34.398 tors. eta vs tors. theta energy: 1.355 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: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -333.572685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.572685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.572685 (E_RNA) where: Base-Base interactions energy: -136.013 where: short stacking energy: -109.831 Base-Backbone interact. energy: 2.649 local terms energy: -200.208646 where: bonds (distance) C4'-P energy: -54.232 bonds (distance) P-C4' energy: -60.353 flat angles C4'-P-C4' energy: -48.696 flat angles P-C4'-P energy: -20.484 tors. eta vs tors. theta energy: -16.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1056.719721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.719721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.719721 (E_RNA) where: Base-Base interactions energy: -725.685 where: short stacking energy: -306.551 Base-Backbone interact. energy: -1.204 local terms energy: -329.829976 where: bonds (distance) C4'-P energy: -57.486 bonds (distance) P-C4' energy: -64.451 flat angles C4'-P-C4' energy: -71.173 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -89.966 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: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1026.483178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.483178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.483178 (E_RNA) where: Base-Base interactions energy: -702.061 where: short stacking energy: -317.685 Base-Backbone interact. energy: -1.276 local terms energy: -323.145683 where: bonds (distance) C4'-P energy: -58.975 bonds (distance) P-C4' energy: -59.990 flat angles C4'-P-C4' energy: -69.448 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -83.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -974.745244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.745244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.745244 (E_RNA) where: Base-Base interactions energy: -655.366 where: short stacking energy: -267.066 Base-Backbone interact. energy: 0.577 local terms energy: -319.955662 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -66.203 flat angles P-C4'-P energy: -48.020 tors. eta vs tors. theta energy: -78.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -845.510148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.510148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.510148 (E_RNA) where: Base-Base interactions energy: -544.478 where: short stacking energy: -251.878 Base-Backbone interact. energy: -1.539 local terms energy: -299.493469 where: bonds (distance) C4'-P energy: -50.823 bonds (distance) P-C4' energy: -63.492 flat angles C4'-P-C4' energy: -70.712 flat angles P-C4'-P energy: -39.877 tors. eta vs tors. theta energy: -74.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -793.750135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.750135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.750135 (E_RNA) where: Base-Base interactions energy: -505.498 where: short stacking energy: -224.583 Base-Backbone interact. energy: 0.130 local terms energy: -288.382055 where: bonds (distance) C4'-P energy: -59.818 bonds (distance) P-C4' energy: -52.095 flat angles C4'-P-C4' energy: -72.014 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -56.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -699.773894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.773894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.773894 (E_RNA) where: Base-Base interactions energy: -439.648 where: short stacking energy: -202.109 Base-Backbone interact. energy: -2.790 local terms energy: -257.335392 where: bonds (distance) C4'-P energy: -54.784 bonds (distance) P-C4' energy: -61.899 flat angles C4'-P-C4' energy: -56.667 flat angles P-C4'-P energy: -39.103 tors. eta vs tors. theta energy: -44.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -685.622543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.622543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.622543 (E_RNA) where: Base-Base interactions energy: -430.003 where: short stacking energy: -201.193 Base-Backbone interact. energy: 0.031 local terms energy: -255.649646 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -53.248 flat angles C4'-P-C4' energy: -56.110 flat angles P-C4'-P energy: -32.570 tors. eta vs tors. theta energy: -58.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -511.588135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.588135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.588135 (E_RNA) where: Base-Base interactions energy: -278.649 where: short stacking energy: -139.517 Base-Backbone interact. energy: -1.311 local terms energy: -231.628167 where: bonds (distance) C4'-P energy: -62.384 bonds (distance) P-C4' energy: -54.430 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -21.056 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: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -399.623047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.623047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.623047 (E_RNA) where: Base-Base interactions energy: -225.477 where: short stacking energy: -130.584 Base-Backbone interact. energy: -1.048 local terms energy: -173.097683 where: bonds (distance) C4'-P energy: -58.831 bonds (distance) P-C4' energy: -50.223 flat angles C4'-P-C4' energy: -27.878 flat angles P-C4'-P energy: -31.587 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -270.704937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.704937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.704937 (E_RNA) where: Base-Base interactions energy: -95.310 where: short stacking energy: -84.558 Base-Backbone interact. energy: 1.486 local terms energy: -176.880641 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -56.586 flat angles C4'-P-C4' energy: -51.313 flat angles P-C4'-P energy: -18.867 tors. eta vs tors. theta energy: 5.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1081.878909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.878909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.878909 (E_RNA) where: Base-Base interactions energy: -732.343 where: short stacking energy: -312.285 Base-Backbone interact. energy: -2.287 local terms energy: -347.248737 where: bonds (distance) C4'-P energy: -60.527 bonds (distance) P-C4' energy: -70.286 flat angles C4'-P-C4' energy: -69.832 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -94.887 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: 2, replica: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1012.047031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.047031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.047031 (E_RNA) where: Base-Base interactions energy: -668.420 where: short stacking energy: -284.328 Base-Backbone interact. energy: -1.649 local terms energy: -341.978031 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -76.712 flat angles P-C4'-P energy: -52.482 tors. eta vs tors. theta energy: -76.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -966.081557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.081557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.081557 (E_RNA) where: Base-Base interactions energy: -648.942 where: short stacking energy: -273.349 Base-Backbone interact. energy: -0.877 local terms energy: -316.262801 where: bonds (distance) C4'-P energy: -58.069 bonds (distance) P-C4' energy: -64.966 flat angles C4'-P-C4' energy: -63.661 flat angles P-C4'-P energy: -51.340 tors. eta vs tors. theta energy: -78.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -847.130830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.130830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.130830 (E_RNA) where: Base-Base interactions energy: -570.956 where: short stacking energy: -254.425 Base-Backbone interact. energy: 0.638 local terms energy: -276.812470 where: bonds (distance) C4'-P energy: -66.671 bonds (distance) P-C4' energy: -55.449 flat angles C4'-P-C4' energy: -53.851 flat angles P-C4'-P energy: -39.264 tors. eta vs tors. theta energy: -61.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -815.541671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.541671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.541671 (E_RNA) where: Base-Base interactions energy: -532.688 where: short stacking energy: -240.025 Base-Backbone interact. energy: -1.604 local terms energy: -281.249753 where: bonds (distance) C4'-P energy: -60.117 bonds (distance) P-C4' energy: -55.407 flat angles C4'-P-C4' energy: -60.516 flat angles P-C4'-P energy: -43.071 tors. eta vs tors. theta energy: -62.139 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: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -681.854158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.854158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.854158 (E_RNA) where: Base-Base interactions energy: -422.367 where: short stacking energy: -206.245 Base-Backbone interact. energy: 0.355 local terms energy: -259.841864 where: bonds (distance) C4'-P energy: -50.573 bonds (distance) P-C4' energy: -58.896 flat angles C4'-P-C4' energy: -55.821 flat angles P-C4'-P energy: -41.253 tors. eta vs tors. theta energy: -53.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -693.619828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.619828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.619828 (E_RNA) where: Base-Base interactions energy: -452.482 where: short stacking energy: -227.668 Base-Backbone interact. energy: -0.327 local terms energy: -240.810519 where: bonds (distance) C4'-P energy: -46.945 bonds (distance) P-C4' energy: -52.778 flat angles C4'-P-C4' energy: -48.081 flat angles P-C4'-P energy: -41.786 tors. eta vs tors. theta energy: -51.221 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: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -527.173428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.173428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.173428 (E_RNA) where: Base-Base interactions energy: -293.650 where: short stacking energy: -158.422 Base-Backbone interact. energy: 1.392 local terms energy: -234.915472 where: bonds (distance) C4'-P energy: -41.570 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -61.770 flat angles P-C4'-P energy: -27.645 tors. eta vs tors. theta energy: -42.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -402.585408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.585408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.585408 (E_RNA) where: Base-Base interactions energy: -216.407 where: short stacking energy: -103.259 Base-Backbone interact. energy: 0.557 local terms energy: -186.734823 where: bonds (distance) C4'-P energy: -49.825 bonds (distance) P-C4' energy: -63.740 flat angles C4'-P-C4' energy: -52.134 flat angles P-C4'-P energy: -36.623 tors. eta vs tors. theta energy: 15.587 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: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -269.552240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.552240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.552240 (E_RNA) where: Base-Base interactions energy: -100.747 where: short stacking energy: -80.861 Base-Backbone interact. energy: 0.931 local terms energy: -169.737034 where: bonds (distance) C4'-P energy: -52.947 bonds (distance) P-C4' energy: -47.553 flat angles C4'-P-C4' energy: -40.182 flat angles P-C4'-P energy: -38.045 tors. eta vs tors. theta energy: 8.990 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: 174 Temperature: 0.900000 Total energy: -1077.585195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.585195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.585195 (E_RNA) where: Base-Base interactions energy: -748.612 where: short stacking energy: -314.263 Base-Backbone interact. energy: 0.174 local terms energy: -329.146586 where: bonds (distance) C4'-P energy: -61.936 bonds (distance) P-C4' energy: -63.597 flat angles C4'-P-C4' energy: -67.872 flat angles P-C4'-P energy: -49.159 tors. eta vs tors. theta energy: -86.583 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: 2 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -989.102645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.102645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.102645 (E_RNA) where: Base-Base interactions energy: -656.763 where: short stacking energy: -272.151 Base-Backbone interact. energy: -1.727 local terms energy: -330.612242 where: bonds (distance) C4'-P energy: -64.751 bonds (distance) P-C4' energy: -71.778 flat angles C4'-P-C4' energy: -76.313 flat angles P-C4'-P energy: -37.347 tors. eta vs tors. theta energy: -80.424 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: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -955.543423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.543423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.543423 (E_RNA) where: Base-Base interactions energy: -647.680 where: short stacking energy: -288.279 Base-Backbone interact. energy: -1.045 local terms energy: -306.819139 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -66.194 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -76.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -837.011954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.011954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.011954 (E_RNA) where: Base-Base interactions energy: -542.901 where: short stacking energy: -242.618 Base-Backbone interact. energy: -1.437 local terms energy: -292.673362 where: bonds (distance) C4'-P energy: -56.927 bonds (distance) P-C4' energy: -60.274 flat angles C4'-P-C4' energy: -63.690 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: -69.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -828.036086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.036086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.036086 (E_RNA) where: Base-Base interactions energy: -525.206 where: short stacking energy: -239.873 Base-Backbone interact. energy: -1.328 local terms energy: -301.502340 where: bonds (distance) C4'-P energy: -52.994 bonds (distance) P-C4' energy: -58.670 flat angles C4'-P-C4' energy: -63.688 flat angles P-C4'-P energy: -46.742 tors. eta vs tors. theta energy: -79.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -676.536333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.536333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.536333 (E_RNA) where: Base-Base interactions energy: -424.069 where: short stacking energy: -215.420 Base-Backbone interact. energy: 2.102 local terms energy: -254.569610 where: bonds (distance) C4'-P energy: -60.516 bonds (distance) P-C4' energy: -55.117 flat angles C4'-P-C4' energy: -65.460 flat angles P-C4'-P energy: -30.048 tors. eta vs tors. theta energy: -43.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -710.585457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.585457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.585457 (E_RNA) where: Base-Base interactions energy: -440.062 where: short stacking energy: -205.043 Base-Backbone interact. energy: -0.281 local terms energy: -270.242521 where: bonds (distance) C4'-P energy: -62.227 bonds (distance) P-C4' energy: -55.014 flat angles C4'-P-C4' energy: -53.001 flat angles P-C4'-P energy: -47.352 tors. eta vs tors. theta energy: -52.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -535.940245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.940245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.940245 (E_RNA) where: Base-Base interactions energy: -326.560 where: short stacking energy: -147.833 Base-Backbone interact. energy: -0.932 local terms energy: -208.448261 where: bonds (distance) C4'-P energy: -47.192 bonds (distance) P-C4' energy: -52.977 flat angles C4'-P-C4' energy: -43.050 flat angles P-C4'-P energy: -37.416 tors. eta vs tors. theta energy: -27.813 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: 174 Temperature: 1.300000 Total energy: -491.303139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.303139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.303139 (E_RNA) where: Base-Base interactions energy: -303.095 where: short stacking energy: -137.405 Base-Backbone interact. energy: -0.766 local terms energy: -187.441462 where: bonds (distance) C4'-P energy: -55.739 bonds (distance) P-C4' energy: -52.300 flat angles C4'-P-C4' energy: -44.699 flat angles P-C4'-P energy: -23.882 tors. eta vs tors. theta energy: -10.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -264.421771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.421771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.421771 (E_RNA) where: Base-Base interactions energy: -108.999 where: short stacking energy: -49.586 Base-Backbone interact. energy: -0.434 local terms energy: -154.987944 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -55.071 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: 24.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1074.473973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.473973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.473973 (E_RNA) where: Base-Base interactions energy: -726.111 where: short stacking energy: -304.235 Base-Backbone interact. energy: 1.259 local terms energy: -349.621732 where: bonds (distance) C4'-P energy: -63.276 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -72.615 flat angles P-C4'-P energy: -49.165 tors. eta vs tors. theta energy: -94.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -971.660128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.660128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.660128 (E_RNA) where: Base-Base interactions energy: -655.938 where: short stacking energy: -292.766 Base-Backbone interact. energy: 1.466 local terms energy: -317.188611 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -64.674 flat angles C4'-P-C4' energy: -65.837 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -79.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -981.560961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.560961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.560961 (E_RNA) where: Base-Base interactions energy: -650.091 where: short stacking energy: -281.159 Base-Backbone interact. energy: -2.032 local terms energy: -329.437735 where: bonds (distance) C4'-P energy: -61.191 bonds (distance) P-C4' energy: -69.527 flat angles C4'-P-C4' energy: -65.379 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -86.438 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: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -860.880877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.880877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.880877 (E_RNA) where: Base-Base interactions energy: -566.970 where: short stacking energy: -257.329 Base-Backbone interact. energy: -0.499 local terms energy: -293.412065 where: bonds (distance) C4'-P energy: -66.485 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -57.589 flat angles P-C4'-P energy: -41.170 tors. eta vs tors. theta energy: -68.795 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: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -797.044562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.044562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.044562 (E_RNA) where: Base-Base interactions energy: -511.409 where: short stacking energy: -227.378 Base-Backbone interact. energy: 1.254 local terms energy: -286.889599 where: bonds (distance) C4'-P energy: -52.490 bonds (distance) P-C4' energy: -68.031 flat angles C4'-P-C4' energy: -67.640 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -52.553 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: 5 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -708.721748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.721748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.721748 (E_RNA) where: Base-Base interactions energy: -432.541 where: short stacking energy: -196.114 Base-Backbone interact. energy: -1.074 local terms energy: -275.106269 where: bonds (distance) C4'-P energy: -59.570 bonds (distance) P-C4' energy: -52.499 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -39.543 tors. eta vs tors. theta energy: -53.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -655.291979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.291979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.291979 (E_RNA) where: Base-Base interactions energy: -417.836 where: short stacking energy: -193.572 Base-Backbone interact. energy: -1.624 local terms energy: -235.831937 where: bonds (distance) C4'-P energy: -57.258 bonds (distance) P-C4' energy: -54.054 flat angles C4'-P-C4' energy: -46.025 flat angles P-C4'-P energy: -37.679 tors. eta vs tors. theta energy: -40.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -546.695402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.695402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.695402 (E_RNA) where: Base-Base interactions energy: -348.701 where: short stacking energy: -138.870 Base-Backbone interact. energy: -1.133 local terms energy: -196.860745 where: bonds (distance) C4'-P energy: -49.570 bonds (distance) P-C4' energy: -51.505 flat angles C4'-P-C4' energy: -57.099 flat angles P-C4'-P energy: -21.096 tors. eta vs tors. theta energy: -17.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -498.963224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.963224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.963224 (E_RNA) where: Base-Base interactions energy: -276.814 where: short stacking energy: -137.020 Base-Backbone interact. energy: -1.941 local terms energy: -220.208137 where: bonds (distance) C4'-P energy: -64.819 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -55.248 flat angles P-C4'-P energy: -39.417 tors. eta vs tors. theta energy: -3.223 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: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -278.194416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.194416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.194416 (E_RNA) where: Base-Base interactions energy: -96.564 where: short stacking energy: -73.335 Base-Backbone interact. energy: -1.721 local terms energy: -179.909388 where: bonds (distance) C4'-P energy: -47.151 bonds (distance) P-C4' energy: -65.182 flat angles C4'-P-C4' energy: -45.797 flat angles P-C4'-P energy: -30.116 tors. eta vs tors. theta energy: 8.337 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: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1063.101023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.101023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.101023 (E_RNA) where: Base-Base interactions energy: -711.683 where: short stacking energy: -304.229 Base-Backbone interact. energy: -3.696 local terms energy: -347.721740 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -63.191 flat angles C4'-P-C4' energy: -71.876 flat angles P-C4'-P energy: -54.185 tors. eta vs tors. theta energy: -94.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -980.083381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.083381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.083381 (E_RNA) where: Base-Base interactions energy: -689.855 where: short stacking energy: -294.689 Base-Backbone interact. energy: 1.937 local terms energy: -292.164867 where: bonds (distance) C4'-P energy: -46.537 bonds (distance) P-C4' energy: -66.062 flat angles C4'-P-C4' energy: -63.188 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: -69.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -980.110853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.110853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.110853 (E_RNA) where: Base-Base interactions energy: -656.887 where: short stacking energy: -283.287 Base-Backbone interact. energy: 0.034 local terms energy: -323.258055 where: bonds (distance) C4'-P energy: -59.040 bonds (distance) P-C4' energy: -66.369 flat angles C4'-P-C4' energy: -63.946 flat angles P-C4'-P energy: -50.532 tors. eta vs tors. theta energy: -83.372 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: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -854.013872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.013872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.013872 (E_RNA) where: Base-Base interactions energy: -533.237 where: short stacking energy: -268.423 Base-Backbone interact. energy: -1.254 local terms energy: -319.523344 where: bonds (distance) C4'-P energy: -70.115 bonds (distance) P-C4' energy: -69.655 flat angles C4'-P-C4' energy: -55.507 flat angles P-C4'-P energy: -45.681 tors. eta vs tors. theta energy: -78.565 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: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -813.579780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.579780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.579780 (E_RNA) where: Base-Base interactions energy: -512.002 where: short stacking energy: -238.963 Base-Backbone interact. energy: -1.103 local terms energy: -300.474518 where: bonds (distance) C4'-P energy: -62.432 bonds (distance) P-C4' energy: -56.950 flat angles C4'-P-C4' energy: -68.070 flat angles P-C4'-P energy: -47.492 tors. eta vs tors. theta energy: -65.529 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: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -662.175237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.175237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.175237 (E_RNA) where: Base-Base interactions energy: -404.845 where: short stacking energy: -174.009 Base-Backbone interact. energy: -1.801 local terms energy: -255.529074 where: bonds (distance) C4'-P energy: -48.351 bonds (distance) P-C4' energy: -67.177 flat angles C4'-P-C4' energy: -61.946 flat angles P-C4'-P energy: -43.592 tors. eta vs tors. theta energy: -34.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -584.299467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.299467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.299467 (E_RNA) where: Base-Base interactions energy: -350.738 where: short stacking energy: -158.076 Base-Backbone interact. energy: -0.411 local terms energy: -233.150283 where: bonds (distance) C4'-P energy: -58.993 bonds (distance) P-C4' energy: -62.418 flat angles C4'-P-C4' energy: -52.599 flat angles P-C4'-P energy: -37.365 tors. eta vs tors. theta energy: -21.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -635.213657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.213657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.213657 (E_RNA) where: Base-Base interactions energy: -393.310 where: short stacking energy: -176.043 Base-Backbone interact. energy: -2.327 local terms energy: -239.576647 where: bonds (distance) C4'-P energy: -45.910 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -62.738 flat angles P-C4'-P energy: -30.857 tors. eta vs tors. theta energy: -43.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -419.509452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.509452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.509452 (E_RNA) where: Base-Base interactions energy: -254.021 where: short stacking energy: -138.982 Base-Backbone interact. energy: 0.152 local terms energy: -165.639842 where: bonds (distance) C4'-P energy: -55.610 bonds (distance) P-C4' energy: -45.728 flat angles C4'-P-C4' energy: -43.730 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -10.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -266.146361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.146361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.146361 (E_RNA) where: Base-Base interactions energy: -99.881 where: short stacking energy: -67.026 Base-Backbone interact. energy: 0.453 local terms energy: -166.718468 where: bonds (distance) C4'-P energy: -46.298 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -28.377 flat angles P-C4'-P energy: -33.787 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: 177 Temperature: 0.900000 Total energy: -1070.194486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.194486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.194486 (E_RNA) where: Base-Base interactions energy: -731.547 where: short stacking energy: -302.734 Base-Backbone interact. energy: -1.127 local terms energy: -337.519944 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -68.246 flat angles P-C4'-P energy: -46.218 tors. eta vs tors. theta energy: -92.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -995.793883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.793883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.793883 (E_RNA) where: Base-Base interactions energy: -657.093 where: short stacking energy: -273.492 Base-Backbone interact. energy: -1.028 local terms energy: -337.672601 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -68.727 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -54.862 tors. eta vs tors. theta energy: -81.726 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: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -951.850038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.850038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.850038 (E_RNA) where: Base-Base interactions energy: -659.095 where: short stacking energy: -297.583 Base-Backbone interact. energy: 0.060 local terms energy: -292.814591 where: bonds (distance) C4'-P energy: -50.058 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -65.333 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -79.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -843.025391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.025391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.025391 (E_RNA) where: Base-Base interactions energy: -542.948 where: short stacking energy: -258.846 Base-Backbone interact. energy: -0.513 local terms energy: -299.564646 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -60.850 flat angles C4'-P-C4' energy: -67.033 flat angles P-C4'-P energy: -45.076 tors. eta vs tors. theta energy: -64.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -834.499848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.499848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.499848 (E_RNA) where: Base-Base interactions energy: -544.386 where: short stacking energy: -245.797 Base-Backbone interact. energy: 3.893 local terms energy: -294.007077 where: bonds (distance) C4'-P energy: -55.192 bonds (distance) P-C4' energy: -62.338 flat angles C4'-P-C4' energy: -66.277 flat angles P-C4'-P energy: -40.480 tors. eta vs tors. theta energy: -69.719 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: 177 Temperature: 1.150000 Total energy: -685.890522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.890522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.890522 (E_RNA) where: Base-Base interactions energy: -444.767 where: short stacking energy: -196.375 Base-Backbone interact. energy: -0.133 local terms energy: -240.991258 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -61.373 flat angles C4'-P-C4' energy: -51.957 flat angles P-C4'-P energy: -25.515 tors. eta vs tors. theta energy: -40.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -562.299107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.299107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.299107 (E_RNA) where: Base-Base interactions energy: -351.335 where: short stacking energy: -158.846 Base-Backbone interact. energy: -0.428 local terms energy: -210.535718 where: bonds (distance) C4'-P energy: -56.976 bonds (distance) P-C4' energy: -47.529 flat angles C4'-P-C4' energy: -53.203 flat angles P-C4'-P energy: -34.534 tors. eta vs tors. theta energy: -18.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -654.277583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.277583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.277583 (E_RNA) where: Base-Base interactions energy: -414.427 where: short stacking energy: -207.147 Base-Backbone interact. energy: 0.472 local terms energy: -240.322953 where: bonds (distance) C4'-P energy: -52.514 bonds (distance) P-C4' energy: -53.743 flat angles C4'-P-C4' energy: -53.343 flat angles P-C4'-P energy: -35.570 tors. eta vs tors. theta energy: -45.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -379.198678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.198678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.198678 (E_RNA) where: Base-Base interactions energy: -191.230 where: short stacking energy: -118.042 Base-Backbone interact. energy: -1.148 local terms energy: -186.820124 where: bonds (distance) C4'-P energy: -46.284 bonds (distance) P-C4' energy: -54.064 flat angles C4'-P-C4' energy: -43.355 flat angles P-C4'-P energy: -31.936 tors. eta vs tors. theta energy: -11.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -276.878745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.878745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.878745 (E_RNA) where: Base-Base interactions energy: -111.304 where: short stacking energy: -65.290 Base-Backbone interact. energy: 3.881 local terms energy: -169.456212 where: bonds (distance) C4'-P energy: -59.026 bonds (distance) P-C4' energy: -60.995 flat angles C4'-P-C4' energy: -45.171 flat angles P-C4'-P energy: -17.218 tors. eta vs tors. theta energy: 12.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1073.173050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.173050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.173050 (E_RNA) where: Base-Base interactions energy: -734.953 where: short stacking energy: -309.156 Base-Backbone interact. energy: -1.799 local terms energy: -336.421645 where: bonds (distance) C4'-P energy: -56.350 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -69.204 flat angles P-C4'-P energy: -55.239 tors. eta vs tors. theta energy: -90.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -985.463481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.463481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.463481 (E_RNA) where: Base-Base interactions energy: -659.305 where: short stacking energy: -273.292 Base-Backbone interact. energy: -2.386 local terms energy: -323.772588 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -68.681 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -47.168 tors. eta vs tors. theta energy: -74.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -954.637958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.637958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.637958 (E_RNA) where: Base-Base interactions energy: -620.776 where: short stacking energy: -266.508 Base-Backbone interact. energy: -2.992 local terms energy: -330.869741 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -69.657 flat angles C4'-P-C4' energy: -72.445 flat angles P-C4'-P energy: -45.726 tors. eta vs tors. theta energy: -78.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -867.624195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.624195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.624195 (E_RNA) where: Base-Base interactions energy: -576.659 where: short stacking energy: -290.444 Base-Backbone interact. energy: -0.786 local terms energy: -290.179396 where: bonds (distance) C4'-P energy: -51.318 bonds (distance) P-C4' energy: -49.689 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -46.185 tors. eta vs tors. theta energy: -77.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -838.546513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.546513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.546513 (E_RNA) where: Base-Base interactions energy: -535.572 where: short stacking energy: -254.131 Base-Backbone interact. energy: 1.855 local terms energy: -304.829629 where: bonds (distance) C4'-P energy: -57.070 bonds (distance) P-C4' energy: -54.855 flat angles C4'-P-C4' energy: -65.787 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: -82.601 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: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -684.876383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.876383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.876383 (E_RNA) where: Base-Base interactions energy: -429.691 where: short stacking energy: -191.842 Base-Backbone interact. energy: 5.794 local terms energy: -260.979689 where: bonds (distance) C4'-P energy: -50.946 bonds (distance) P-C4' energy: -72.345 flat angles C4'-P-C4' energy: -55.279 flat angles P-C4'-P energy: -33.350 tors. eta vs tors. theta energy: -49.060 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: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -685.087830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.087830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.087830 (E_RNA) where: Base-Base interactions energy: -454.400 where: short stacking energy: -232.201 Base-Backbone interact. energy: -1.846 local terms energy: -228.841872 where: bonds (distance) C4'-P energy: -37.021 bonds (distance) P-C4' energy: -53.893 flat angles C4'-P-C4' energy: -49.653 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: -52.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -507.118914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.118914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.118914 (E_RNA) where: Base-Base interactions energy: -316.036 where: short stacking energy: -151.697 Base-Backbone interact. energy: 0.121 local terms energy: -191.203594 where: bonds (distance) C4'-P energy: -48.521 bonds (distance) P-C4' energy: -56.441 flat angles C4'-P-C4' energy: -46.117 flat angles P-C4'-P energy: -24.356 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -391.969106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.969106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.969106 (E_RNA) where: Base-Base interactions energy: -203.595 where: short stacking energy: -129.216 Base-Backbone interact. energy: 0.180 local terms energy: -188.554585 where: bonds (distance) C4'-P energy: -52.409 bonds (distance) P-C4' energy: -52.251 flat angles C4'-P-C4' energy: -39.530 flat angles P-C4'-P energy: -27.478 tors. eta vs tors. theta energy: -16.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -311.064485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.064485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.064485 (E_RNA) where: Base-Base interactions energy: -127.043 where: short stacking energy: -65.713 Base-Backbone interact. energy: 0.889 local terms energy: -184.911124 where: bonds (distance) C4'-P energy: -58.723 bonds (distance) P-C4' energy: -62.447 flat angles C4'-P-C4' energy: -43.591 flat angles P-C4'-P energy: -35.102 tors. eta vs tors. theta energy: 14.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1090.596803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.596803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.596803 (E_RNA) where: Base-Base interactions energy: -748.009 where: short stacking energy: -330.739 Base-Backbone interact. energy: 0.303 local terms energy: -342.891546 where: bonds (distance) C4'-P energy: -66.022 bonds (distance) P-C4' energy: -64.244 flat angles C4'-P-C4' energy: -70.492 flat angles P-C4'-P energy: -50.964 tors. eta vs tors. theta energy: -91.170 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: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -987.871134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.871134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.871134 (E_RNA) where: Base-Base interactions energy: -660.367 where: short stacking energy: -296.672 Base-Backbone interact. energy: -1.403 local terms energy: -326.100714 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -55.964 flat angles C4'-P-C4' energy: -69.428 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: -89.601 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: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -962.407076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.407076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.407076 (E_RNA) where: Base-Base interactions energy: -666.000 where: short stacking energy: -298.348 Base-Backbone interact. energy: 1.120 local terms energy: -297.527171 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -55.142 flat angles C4'-P-C4' energy: -60.501 flat angles P-C4'-P energy: -44.539 tors. eta vs tors. theta energy: -75.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -864.818655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.818655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.818655 (E_RNA) where: Base-Base interactions energy: -570.225 where: short stacking energy: -254.184 Base-Backbone interact. energy: 0.435 local terms energy: -295.029068 where: bonds (distance) C4'-P energy: -61.388 bonds (distance) P-C4' energy: -54.848 flat angles C4'-P-C4' energy: -62.485 flat angles P-C4'-P energy: -37.113 tors. eta vs tors. theta energy: -79.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -816.111379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.111379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.111379 (E_RNA) where: Base-Base interactions energy: -527.665 where: short stacking energy: -247.722 Base-Backbone interact. energy: 2.938 local terms energy: -291.384035 where: bonds (distance) C4'-P energy: -53.618 bonds (distance) P-C4' energy: -61.915 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -40.156 tors. eta vs tors. theta energy: -69.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -687.556292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.556292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.556292 (E_RNA) where: Base-Base interactions energy: -422.938 where: short stacking energy: -216.927 Base-Backbone interact. energy: 0.699 local terms energy: -265.317534 where: bonds (distance) C4'-P energy: -50.993 bonds (distance) P-C4' energy: -64.246 flat angles C4'-P-C4' energy: -58.776 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -49.293 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: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -640.507166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.507166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.507166 (E_RNA) where: Base-Base interactions energy: -401.186 where: short stacking energy: -194.730 Base-Backbone interact. energy: -1.346 local terms energy: -237.974742 where: bonds (distance) C4'-P energy: -52.805 bonds (distance) P-C4' energy: -46.343 flat angles C4'-P-C4' energy: -55.938 flat angles P-C4'-P energy: -32.038 tors. eta vs tors. theta energy: -50.851 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: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -509.484030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.484030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.484030 (E_RNA) where: Base-Base interactions energy: -270.419 where: short stacking energy: -144.958 Base-Backbone interact. energy: -0.364 local terms energy: -238.700068 where: bonds (distance) C4'-P energy: -59.049 bonds (distance) P-C4' energy: -63.989 flat angles C4'-P-C4' energy: -64.407 flat angles P-C4'-P energy: -19.353 tors. eta vs tors. theta energy: -31.902 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: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -372.996602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.996602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.996602 (E_RNA) where: Base-Base interactions energy: -176.428 where: short stacking energy: -104.619 Base-Backbone interact. energy: 1.651 local terms energy: -198.219866 where: bonds (distance) C4'-P energy: -58.176 bonds (distance) P-C4' energy: -52.756 flat angles C4'-P-C4' energy: -49.410 flat angles P-C4'-P energy: -26.018 tors. eta vs tors. theta energy: -11.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -283.109640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.109640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.109640 (E_RNA) where: Base-Base interactions energy: -106.850 where: short stacking energy: -75.933 Base-Backbone interact. energy: 2.329 local terms energy: -178.588928 where: bonds (distance) C4'-P energy: -55.533 bonds (distance) P-C4' energy: -55.945 flat angles C4'-P-C4' energy: -41.200 flat angles P-C4'-P energy: -32.698 tors. eta vs tors. theta energy: 6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1024.677783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.677783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.677783 (E_RNA) where: Base-Base interactions energy: -689.706 where: short stacking energy: -304.829 Base-Backbone interact. energy: 0.178 local terms energy: -335.149707 where: bonds (distance) C4'-P energy: -53.995 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -77.380 flat angles P-C4'-P energy: -49.663 tors. eta vs tors. theta energy: -87.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1037.764048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.764048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.764048 (E_RNA) where: Base-Base interactions energy: -707.051 where: short stacking energy: -312.724 Base-Backbone interact. energy: -2.171 local terms energy: -328.542050 where: bonds (distance) C4'-P energy: -67.899 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -66.040 flat angles P-C4'-P energy: -43.478 tors. eta vs tors. theta energy: -87.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -998.915601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.915601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.915601 (E_RNA) where: Base-Base interactions energy: -674.193 where: short stacking energy: -299.422 Base-Backbone interact. energy: -1.418 local terms energy: -323.304496 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -70.730 flat angles C4'-P-C4' energy: -67.783 flat angles P-C4'-P energy: -38.179 tors. eta vs tors. theta energy: -88.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -858.299349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.299349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.299349 (E_RNA) where: Base-Base interactions energy: -557.523 where: short stacking energy: -253.536 Base-Backbone interact. energy: 1.019 local terms energy: -301.795964 where: bonds (distance) C4'-P energy: -52.628 bonds (distance) P-C4' energy: -62.576 flat angles C4'-P-C4' energy: -66.958 flat angles P-C4'-P energy: -52.832 tors. eta vs tors. theta energy: -66.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -824.304002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.304002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.304002 (E_RNA) where: Base-Base interactions energy: -538.593 where: short stacking energy: -255.926 Base-Backbone interact. energy: 0.136 local terms energy: -285.847633 where: bonds (distance) C4'-P energy: -52.391 bonds (distance) P-C4' energy: -61.290 flat angles C4'-P-C4' energy: -62.908 flat angles P-C4'-P energy: -34.291 tors. eta vs tors. theta energy: -74.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -688.166053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.166053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.166053 (E_RNA) where: Base-Base interactions energy: -431.001 where: short stacking energy: -213.528 Base-Backbone interact. energy: 0.698 local terms energy: -257.862335 where: bonds (distance) C4'-P energy: -51.127 bonds (distance) P-C4' energy: -67.490 flat angles C4'-P-C4' energy: -52.712 flat angles P-C4'-P energy: -35.238 tors. eta vs tors. theta energy: -51.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -503.381766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.381766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.381766 (E_RNA) where: Base-Base interactions energy: -279.333 where: short stacking energy: -151.037 Base-Backbone interact. energy: -2.004 local terms energy: -222.044544 where: bonds (distance) C4'-P energy: -54.330 bonds (distance) P-C4' energy: -62.830 flat angles C4'-P-C4' energy: -48.176 flat angles P-C4'-P energy: -33.676 tors. eta vs tors. theta energy: -23.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -602.125543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.125543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.125543 (E_RNA) where: Base-Base interactions energy: -372.548 where: short stacking energy: -188.974 Base-Backbone interact. energy: -1.992 local terms energy: -227.585882 where: bonds (distance) C4'-P energy: -45.279 bonds (distance) P-C4' energy: -57.414 flat angles C4'-P-C4' energy: -51.256 flat angles P-C4'-P energy: -37.842 tors. eta vs tors. theta energy: -35.794 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: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -361.744559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.744559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.744559 (E_RNA) where: Base-Base interactions energy: -166.857 where: short stacking energy: -111.004 Base-Backbone interact. energy: 0.523 local terms energy: -195.410269 where: bonds (distance) C4'-P energy: -44.431 bonds (distance) P-C4' energy: -62.014 flat angles C4'-P-C4' energy: -59.925 flat angles P-C4'-P energy: -29.315 tors. eta vs tors. theta energy: 0.274 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: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -264.898734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.898734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.898734 (E_RNA) where: Base-Base interactions energy: -108.434 where: short stacking energy: -85.066 Base-Backbone interact. energy: 2.837 local terms energy: -159.301812 where: bonds (distance) C4'-P energy: -34.423 bonds (distance) P-C4' energy: -49.266 flat angles C4'-P-C4' energy: -50.016 flat angles P-C4'-P energy: -29.169 tors. eta vs tors. theta energy: 3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1037.870325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.870325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.870325 (E_RNA) where: Base-Base interactions energy: -693.223 where: short stacking energy: -304.965 Base-Backbone interact. energy: -2.102 local terms energy: -342.545495 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -76.003 flat angles P-C4'-P energy: -54.949 tors. eta vs tors. theta energy: -84.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1021.076191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.076191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.076191 (E_RNA) where: Base-Base interactions energy: -700.132 where: short stacking energy: -302.161 Base-Backbone interact. energy: -0.990 local terms energy: -319.954354 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -50.277 flat angles C4'-P-C4' energy: -71.488 flat angles P-C4'-P energy: -54.098 tors. eta vs tors. theta energy: -88.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -974.436709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.436709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.436709 (E_RNA) where: Base-Base interactions energy: -650.155 where: short stacking energy: -302.335 Base-Backbone interact. energy: 3.288 local terms energy: -327.569981 where: bonds (distance) C4'-P energy: -57.618 bonds (distance) P-C4' energy: -71.227 flat angles C4'-P-C4' energy: -70.877 flat angles P-C4'-P energy: -38.314 tors. eta vs tors. theta energy: -89.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -872.668925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.668925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.668925 (E_RNA) where: Base-Base interactions energy: -559.085 where: short stacking energy: -266.516 Base-Backbone interact. energy: 2.008 local terms energy: -315.591705 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -67.716 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: -79.528 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: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -820.399745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.399745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.399745 (E_RNA) where: Base-Base interactions energy: -540.366 where: short stacking energy: -255.135 Base-Backbone interact. energy: -0.813 local terms energy: -279.220239 where: bonds (distance) C4'-P energy: -47.212 bonds (distance) P-C4' energy: -60.277 flat angles C4'-P-C4' energy: -61.958 flat angles P-C4'-P energy: -39.496 tors. eta vs tors. theta energy: -70.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -699.342942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.342942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.342942 (E_RNA) where: Base-Base interactions energy: -447.068 where: short stacking energy: -211.763 Base-Backbone interact. energy: -1.058 local terms energy: -251.216231 where: bonds (distance) C4'-P energy: -47.745 bonds (distance) P-C4' energy: -59.384 flat angles C4'-P-C4' energy: -56.622 flat angles P-C4'-P energy: -39.049 tors. eta vs tors. theta energy: -48.415 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: 7, replica: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -493.751950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.751950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.751950 (E_RNA) where: Base-Base interactions energy: -282.130 where: short stacking energy: -143.537 Base-Backbone interact. energy: -1.444 local terms energy: -210.178128 where: bonds (distance) C4'-P energy: -50.839 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -57.023 flat angles P-C4'-P energy: -25.410 tors. eta vs tors. theta energy: -14.221 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: 181 Temperature: 1.250000 Total energy: -597.288517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.288517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.288517 (E_RNA) where: Base-Base interactions energy: -342.141 where: short stacking energy: -153.856 Base-Backbone interact. energy: 0.654 local terms energy: -255.801616 where: bonds (distance) C4'-P energy: -59.458 bonds (distance) P-C4' energy: -66.237 flat angles C4'-P-C4' energy: -50.849 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -38.396 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: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -363.419933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.419933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.419933 (E_RNA) where: Base-Base interactions energy: -184.417 where: short stacking energy: -105.382 Base-Backbone interact. energy: -1.300 local terms energy: -177.703284 where: bonds (distance) C4'-P energy: -44.843 bonds (distance) P-C4' energy: -52.865 flat angles C4'-P-C4' energy: -50.275 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: 2.614 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: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -290.599044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.599044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.599044 (E_RNA) where: Base-Base interactions energy: -133.364 where: short stacking energy: -94.955 Base-Backbone interact. energy: -1.123 local terms energy: -156.112956 where: bonds (distance) C4'-P energy: -35.163 bonds (distance) P-C4' energy: -54.341 flat angles C4'-P-C4' energy: -38.189 flat angles P-C4'-P energy: -30.143 tors. eta vs tors. theta energy: 1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1024.634361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.634361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.634361 (E_RNA) where: Base-Base interactions energy: -689.131 where: short stacking energy: -302.475 Base-Backbone interact. energy: -1.084 local terms energy: -334.419508 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -72.170 flat angles P-C4'-P energy: -47.945 tors. eta vs tors. theta energy: -86.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1009.864030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.864030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.864030 (E_RNA) where: Base-Base interactions energy: -678.205 where: short stacking energy: -299.370 Base-Backbone interact. energy: -0.410 local terms energy: -331.248890 where: bonds (distance) C4'-P energy: -55.448 bonds (distance) P-C4' energy: -68.590 flat angles C4'-P-C4' energy: -64.769 flat angles P-C4'-P energy: -53.804 tors. eta vs tors. theta energy: -88.638 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: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1002.775503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.775503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.775503 (E_RNA) where: Base-Base interactions energy: -684.992 where: short stacking energy: -297.295 Base-Backbone interact. energy: -2.309 local terms energy: -315.474379 where: bonds (distance) C4'-P energy: -56.180 bonds (distance) P-C4' energy: -66.972 flat angles C4'-P-C4' energy: -70.063 flat angles P-C4'-P energy: -45.530 tors. eta vs tors. theta energy: -76.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -887.643861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.643861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.643861 (E_RNA) where: Base-Base interactions energy: -577.084 where: short stacking energy: -271.880 Base-Backbone interact. energy: -0.662 local terms energy: -309.898478 where: bonds (distance) C4'-P energy: -55.623 bonds (distance) P-C4' energy: -69.250 flat angles C4'-P-C4' energy: -63.833 flat angles P-C4'-P energy: -44.560 tors. eta vs tors. theta energy: -76.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -825.584318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.584318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.584318 (E_RNA) where: Base-Base interactions energy: -536.024 where: short stacking energy: -244.582 Base-Backbone interact. energy: -1.060 local terms energy: -288.500436 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -64.248 flat angles C4'-P-C4' energy: -60.122 flat angles P-C4'-P energy: -30.072 tors. eta vs tors. theta energy: -77.629 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: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -667.682850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.682850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.682850 (E_RNA) where: Base-Base interactions energy: -404.444 where: short stacking energy: -195.462 Base-Backbone interact. energy: 0.779 local terms energy: -264.018538 where: bonds (distance) C4'-P energy: -60.536 bonds (distance) P-C4' energy: -51.966 flat angles C4'-P-C4' energy: -57.823 flat angles P-C4'-P energy: -42.536 tors. eta vs tors. theta energy: -51.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -584.278407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.278407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.278407 (E_RNA) where: Base-Base interactions energy: -351.514 where: short stacking energy: -164.573 Base-Backbone interact. energy: -1.054 local terms energy: -231.710388 where: bonds (distance) C4'-P energy: -62.319 bonds (distance) P-C4' energy: -55.196 flat angles C4'-P-C4' energy: -52.648 flat angles P-C4'-P energy: -34.651 tors. eta vs tors. theta energy: -26.897 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: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -454.807181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.807181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.807181 (E_RNA) where: Base-Base interactions energy: -251.176 where: short stacking energy: -133.699 Base-Backbone interact. energy: -0.148 local terms energy: -203.483197 where: bonds (distance) C4'-P energy: -52.996 bonds (distance) P-C4' energy: -53.795 flat angles C4'-P-C4' energy: -52.618 flat angles P-C4'-P energy: -35.645 tors. eta vs tors. theta energy: -8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -375.451060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.451060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.451060 (E_RNA) where: Base-Base interactions energy: -196.434 where: short stacking energy: -102.578 Base-Backbone interact. energy: -0.953 local terms energy: -178.064054 where: bonds (distance) C4'-P energy: -46.252 bonds (distance) P-C4' energy: -52.393 flat angles C4'-P-C4' energy: -44.907 flat angles P-C4'-P energy: -32.944 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -307.170643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.170643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.170643 (E_RNA) where: Base-Base interactions energy: -127.340 where: short stacking energy: -84.844 Base-Backbone interact. energy: -0.700 local terms energy: -179.131477 where: bonds (distance) C4'-P energy: -64.884 bonds (distance) P-C4' energy: -62.326 flat angles C4'-P-C4' energy: -39.727 flat angles P-C4'-P energy: -26.450 tors. eta vs tors. theta energy: 14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1013.767378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.767378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.767378 (E_RNA) where: Base-Base interactions energy: -686.203 where: short stacking energy: -311.348 Base-Backbone interact. energy: -0.844 local terms energy: -326.720757 where: bonds (distance) C4'-P energy: -64.777 bonds (distance) P-C4' energy: -66.465 flat angles C4'-P-C4' energy: -68.517 flat angles P-C4'-P energy: -46.058 tors. eta vs tors. theta energy: -80.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1031.100161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.100161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.100161 (E_RNA) where: Base-Base interactions energy: -698.019 where: short stacking energy: -313.744 Base-Backbone interact. energy: -1.979 local terms energy: -331.102929 where: bonds (distance) C4'-P energy: -58.578 bonds (distance) P-C4' energy: -75.192 flat angles C4'-P-C4' energy: -65.669 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1000.124014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.124014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.124014 (E_RNA) where: Base-Base interactions energy: -686.697 where: short stacking energy: -306.859 Base-Backbone interact. energy: -2.878 local terms energy: -310.549095 where: bonds (distance) C4'-P energy: -54.781 bonds (distance) P-C4' energy: -59.672 flat angles C4'-P-C4' energy: -62.868 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -87.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -844.502745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.502745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.502745 (E_RNA) where: Base-Base interactions energy: -548.187 where: short stacking energy: -253.260 Base-Backbone interact. energy: -1.454 local terms energy: -294.861944 where: bonds (distance) C4'-P energy: -53.426 bonds (distance) P-C4' energy: -57.427 flat angles C4'-P-C4' energy: -73.093 flat angles P-C4'-P energy: -36.466 tors. eta vs tors. theta energy: -74.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -829.451492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.451492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.451492 (E_RNA) where: Base-Base interactions energy: -542.538 where: short stacking energy: -237.742 Base-Backbone interact. energy: 0.703 local terms energy: -287.616730 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -57.378 flat angles C4'-P-C4' energy: -59.647 flat angles P-C4'-P energy: -35.315 tors. eta vs tors. theta energy: -68.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -652.084705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.084705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.084705 (E_RNA) where: Base-Base interactions energy: -400.977 where: short stacking energy: -213.448 Base-Backbone interact. energy: -1.782 local terms energy: -249.325652 where: bonds (distance) C4'-P energy: -58.133 bonds (distance) P-C4' energy: -51.224 flat angles C4'-P-C4' energy: -50.991 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -46.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -629.327156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.327156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.327156 (E_RNA) where: Base-Base interactions energy: -375.434 where: short stacking energy: -184.796 Base-Backbone interact. energy: 3.495 local terms energy: -257.388422 where: bonds (distance) C4'-P energy: -61.766 bonds (distance) P-C4' energy: -58.948 flat angles C4'-P-C4' energy: -59.145 flat angles P-C4'-P energy: -41.470 tors. eta vs tors. theta energy: -36.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -406.098131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.098131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.098131 (E_RNA) where: Base-Base interactions energy: -196.148 where: short stacking energy: -96.360 Base-Backbone interact. energy: -1.268 local terms energy: -208.682859 where: bonds (distance) C4'-P energy: -56.901 bonds (distance) P-C4' energy: -62.135 flat angles C4'-P-C4' energy: -54.814 flat angles P-C4'-P energy: -29.710 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -412.075700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.075700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.075700 (E_RNA) where: Base-Base interactions energy: -227.337 where: short stacking energy: -130.191 Base-Backbone interact. energy: -0.036 local terms energy: -184.703482 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -46.409 flat angles C4'-P-C4' energy: -37.347 flat angles P-C4'-P energy: -28.136 tors. eta vs tors. theta energy: -11.214 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: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -268.009092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.009092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.009092 (E_RNA) where: Base-Base interactions energy: -97.527 where: short stacking energy: -71.830 Base-Backbone interact. energy: -0.318 local terms energy: -170.163759 where: bonds (distance) C4'-P energy: -49.471 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -39.238 flat angles P-C4'-P energy: -33.212 tors. eta vs tors. theta energy: 12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1037.776953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.776953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.776953 (E_RNA) where: Base-Base interactions energy: -691.111 where: short stacking energy: -315.120 Base-Backbone interact. energy: -0.284 local terms energy: -346.381981 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -70.683 flat angles C4'-P-C4' energy: -74.808 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -94.907 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: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -988.944632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.944632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.944632 (E_RNA) where: Base-Base interactions energy: -679.697 where: short stacking energy: -291.721 Base-Backbone interact. energy: -1.969 local terms energy: -307.278617 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -62.805 flat angles C4'-P-C4' energy: -67.674 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -74.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1004.592451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.592451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.592451 (E_RNA) where: Base-Base interactions energy: -701.595 where: short stacking energy: -305.745 Base-Backbone interact. energy: -0.225 local terms energy: -302.771580 where: bonds (distance) C4'-P energy: -54.996 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -61.379 flat angles P-C4'-P energy: -44.925 tors. eta vs tors. theta energy: -80.138 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: 184 Temperature: 1.050000 Total energy: -848.754502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.754502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.754502 (E_RNA) where: Base-Base interactions energy: -551.185 where: short stacking energy: -259.281 Base-Backbone interact. energy: -0.740 local terms energy: -296.829573 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -49.333 flat angles C4'-P-C4' energy: -64.101 flat angles P-C4'-P energy: -48.133 tors. eta vs tors. theta energy: -78.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -875.383049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.383049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.383049 (E_RNA) where: Base-Base interactions energy: -590.350 where: short stacking energy: -263.987 Base-Backbone interact. energy: -2.280 local terms energy: -282.753254 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -56.483 flat angles C4'-P-C4' energy: -62.530 flat angles P-C4'-P energy: -29.983 tors. eta vs tors. theta energy: -71.357 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: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -679.303368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.303368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.303368 (E_RNA) where: Base-Base interactions energy: -425.152 where: short stacking energy: -181.303 Base-Backbone interact. energy: -0.755 local terms energy: -253.396093 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -54.083 flat angles C4'-P-C4' energy: -57.787 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -37.078 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: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -661.427257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.427257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.427257 (E_RNA) where: Base-Base interactions energy: -411.291 where: short stacking energy: -200.510 Base-Backbone interact. energy: -1.003 local terms energy: -249.133319 where: bonds (distance) C4'-P energy: -60.334 bonds (distance) P-C4' energy: -51.396 flat angles C4'-P-C4' energy: -55.642 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -40.523 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: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -453.772259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.772259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.772259 (E_RNA) where: Base-Base interactions energy: -268.651 where: short stacking energy: -120.359 Base-Backbone interact. energy: -1.984 local terms energy: -183.137591 where: bonds (distance) C4'-P energy: -41.635 bonds (distance) P-C4' energy: -53.247 flat angles C4'-P-C4' energy: -63.651 flat angles P-C4'-P energy: -20.865 tors. eta vs tors. theta energy: -3.740 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: 184 Temperature: 1.300000 Total energy: -392.759375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.759375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.759375 (E_RNA) where: Base-Base interactions energy: -199.614 where: short stacking energy: -114.715 Base-Backbone interact. energy: -0.686 local terms energy: -192.459687 where: bonds (distance) C4'-P energy: -47.853 bonds (distance) P-C4' energy: -52.742 flat angles C4'-P-C4' energy: -54.354 flat angles P-C4'-P energy: -29.649 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -283.820740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.820740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.820740 (E_RNA) where: Base-Base interactions energy: -115.133 where: short stacking energy: -99.260 Base-Backbone interact. energy: -2.069 local terms energy: -166.618203 where: bonds (distance) C4'-P energy: -53.329 bonds (distance) P-C4' energy: -55.532 flat angles C4'-P-C4' energy: -41.759 flat angles P-C4'-P energy: -20.538 tors. eta vs tors. theta energy: 4.540 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: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1047.271934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.271934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.271934 (E_RNA) where: Base-Base interactions energy: -722.821 where: short stacking energy: -313.919 Base-Backbone interact. energy: -2.092 local terms energy: -322.359597 where: bonds (distance) C4'-P energy: -53.150 bonds (distance) P-C4' energy: -69.175 flat angles C4'-P-C4' energy: -72.295 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: -92.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -989.051162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.051162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.051162 (E_RNA) where: Base-Base interactions energy: -673.718 where: short stacking energy: -295.255 Base-Backbone interact. energy: -0.315 local terms energy: -315.018522 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -67.175 flat angles C4'-P-C4' energy: -67.289 flat angles P-C4'-P energy: -45.148 tors. eta vs tors. theta energy: -79.040 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: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -992.478395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.478395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.478395 (E_RNA) where: Base-Base interactions energy: -680.361 where: short stacking energy: -292.118 Base-Backbone interact. energy: -3.179 local terms energy: -308.938814 where: bonds (distance) C4'-P energy: -55.693 bonds (distance) P-C4' energy: -68.071 flat angles C4'-P-C4' energy: -61.152 flat angles P-C4'-P energy: -45.121 tors. eta vs tors. theta energy: -78.901 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: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -844.142468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.142468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.142468 (E_RNA) where: Base-Base interactions energy: -543.915 where: short stacking energy: -249.558 Base-Backbone interact. energy: -1.245 local terms energy: -298.982221 where: bonds (distance) C4'-P energy: -57.196 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -63.649 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -70.586 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: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -869.344562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.344562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.344562 (E_RNA) where: Base-Base interactions energy: -559.463 where: short stacking energy: -249.557 Base-Backbone interact. energy: -1.089 local terms energy: -308.792295 where: bonds (distance) C4'-P energy: -64.401 bonds (distance) P-C4' energy: -60.715 flat angles C4'-P-C4' energy: -60.239 flat angles P-C4'-P energy: -45.323 tors. eta vs tors. theta energy: -78.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -682.609014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.609014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.609014 (E_RNA) where: Base-Base interactions energy: -413.856 where: short stacking energy: -199.159 Base-Backbone interact. energy: 0.068 local terms energy: -268.820334 where: bonds (distance) C4'-P energy: -59.029 bonds (distance) P-C4' energy: -54.983 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -41.492 tors. eta vs tors. theta energy: -53.572 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: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -609.184006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.184006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.184006 (E_RNA) where: Base-Base interactions energy: -369.529 where: short stacking energy: -169.755 Base-Backbone interact. energy: -2.387 local terms energy: -237.267980 where: bonds (distance) C4'-P energy: -58.255 bonds (distance) P-C4' energy: -48.689 flat angles C4'-P-C4' energy: -56.678 flat angles P-C4'-P energy: -44.558 tors. eta vs tors. theta energy: -29.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -497.789908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.789908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.789908 (E_RNA) where: Base-Base interactions energy: -293.136 where: short stacking energy: -136.365 Base-Backbone interact. energy: -2.692 local terms energy: -201.962597 where: bonds (distance) C4'-P energy: -38.027 bonds (distance) P-C4' energy: -61.428 flat angles C4'-P-C4' energy: -49.497 flat angles P-C4'-P energy: -40.532 tors. eta vs tors. theta energy: -12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -386.941884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.941884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.941884 (E_RNA) where: Base-Base interactions energy: -193.113 where: short stacking energy: -87.812 Base-Backbone interact. energy: -1.877 local terms energy: -191.951768 where: bonds (distance) C4'-P energy: -44.080 bonds (distance) P-C4' energy: -58.402 flat angles C4'-P-C4' energy: -58.671 flat angles P-C4'-P energy: -29.913 tors. eta vs tors. theta energy: -0.885 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: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -289.163982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.163982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.163982 (E_RNA) where: Base-Base interactions energy: -119.573 where: short stacking energy: -99.131 Base-Backbone interact. energy: 2.468 local terms energy: -172.059043 where: bonds (distance) C4'-P energy: -51.787 bonds (distance) P-C4' energy: -46.218 flat angles C4'-P-C4' energy: -51.636 flat angles P-C4'-P energy: -13.529 tors. eta vs tors. theta energy: -8.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1076.821406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.821406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.821406 (E_RNA) where: Base-Base interactions energy: -729.754 where: short stacking energy: -326.780 Base-Backbone interact. energy: -2.528 local terms energy: -344.539183 where: bonds (distance) C4'-P energy: -61.247 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: -99.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -995.290501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.290501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.290501 (E_RNA) where: Base-Base interactions energy: -672.979 where: short stacking energy: -308.723 Base-Backbone interact. energy: 0.178 local terms energy: -322.490036 where: bonds (distance) C4'-P energy: -56.865 bonds (distance) P-C4' energy: -65.532 flat angles C4'-P-C4' energy: -74.137 flat angles P-C4'-P energy: -43.397 tors. eta vs tors. theta energy: -82.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1014.686088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.686088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.686088 (E_RNA) where: Base-Base interactions energy: -701.115 where: short stacking energy: -306.806 Base-Backbone interact. energy: -1.863 local terms energy: -311.707986 where: bonds (distance) C4'-P energy: -54.805 bonds (distance) P-C4' energy: -63.367 flat angles C4'-P-C4' energy: -64.953 flat angles P-C4'-P energy: -48.483 tors. eta vs tors. theta energy: -80.100 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: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -880.084909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.084909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.084909 (E_RNA) where: Base-Base interactions energy: -574.300 where: short stacking energy: -278.689 Base-Backbone interact. energy: -0.205 local terms energy: -305.579545 where: bonds (distance) C4'-P energy: -65.063 bonds (distance) P-C4' energy: -54.037 flat angles C4'-P-C4' energy: -58.703 flat angles P-C4'-P energy: -38.319 tors. eta vs tors. theta energy: -89.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -843.204648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.204648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.204648 (E_RNA) where: Base-Base interactions energy: -553.964 where: short stacking energy: -266.922 Base-Backbone interact. energy: -0.839 local terms energy: -288.401229 where: bonds (distance) C4'-P energy: -55.732 bonds (distance) P-C4' energy: -64.738 flat angles C4'-P-C4' energy: -57.271 flat angles P-C4'-P energy: -40.546 tors. eta vs tors. theta energy: -70.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -724.442909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.442909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.442909 (E_RNA) where: Base-Base interactions energy: -467.096 where: short stacking energy: -231.781 Base-Backbone interact. energy: -1.450 local terms energy: -255.896453 where: bonds (distance) C4'-P energy: -48.614 bonds (distance) P-C4' energy: -57.252 flat angles C4'-P-C4' energy: -63.280 flat angles P-C4'-P energy: -37.113 tors. eta vs tors. theta energy: -49.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -619.665334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.665334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.665334 (E_RNA) where: Base-Base interactions energy: -359.884 where: short stacking energy: -188.818 Base-Backbone interact. energy: -0.748 local terms energy: -259.032907 where: bonds (distance) C4'-P energy: -63.430 bonds (distance) P-C4' energy: -64.722 flat angles C4'-P-C4' energy: -49.402 flat angles P-C4'-P energy: -41.262 tors. eta vs tors. theta energy: -40.216 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: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -441.886623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.886623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.886623 (E_RNA) where: Base-Base interactions energy: -267.159 where: short stacking energy: -124.419 Base-Backbone interact. energy: -0.632 local terms energy: -174.095805 where: bonds (distance) C4'-P energy: -42.526 bonds (distance) P-C4' energy: -56.050 flat angles C4'-P-C4' energy: -43.376 flat angles P-C4'-P energy: -25.255 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -373.160915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.160915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.160915 (E_RNA) where: Base-Base interactions energy: -190.503 where: short stacking energy: -107.363 Base-Backbone interact. energy: 1.202 local terms energy: -183.860279 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -52.287 flat angles C4'-P-C4' energy: -47.718 flat angles P-C4'-P energy: -31.556 tors. eta vs tors. theta energy: 0.438 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: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -281.552064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.552064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.552064 (E_RNA) where: Base-Base interactions energy: -123.565 where: short stacking energy: -84.237 Base-Backbone interact. energy: -0.584 local terms energy: -157.402482 where: bonds (distance) C4'-P energy: -45.888 bonds (distance) P-C4' energy: -44.473 flat angles C4'-P-C4' energy: -41.484 flat angles P-C4'-P energy: -34.203 tors. eta vs tors. theta energy: 8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1069.320691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.320691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.320691 (E_RNA) where: Base-Base interactions energy: -716.596 where: short stacking energy: -324.418 Base-Backbone interact. energy: -1.306 local terms energy: -351.418966 where: bonds (distance) C4'-P energy: -58.627 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -77.881 flat angles P-C4'-P energy: -53.186 tors. eta vs tors. theta energy: -98.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1021.107180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.107180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.107180 (E_RNA) where: Base-Base interactions energy: -696.699 where: short stacking energy: -318.435 Base-Backbone interact. energy: -0.986 local terms energy: -323.422668 where: bonds (distance) C4'-P energy: -55.312 bonds (distance) P-C4' energy: -66.739 flat angles C4'-P-C4' energy: -68.410 flat angles P-C4'-P energy: -49.735 tors. eta vs tors. theta energy: -83.226 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: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -991.877501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.877501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.877501 (E_RNA) where: Base-Base interactions energy: -658.323 where: short stacking energy: -299.176 Base-Backbone interact. energy: 1.018 local terms energy: -334.572473 where: bonds (distance) C4'-P energy: -55.609 bonds (distance) P-C4' energy: -67.845 flat angles C4'-P-C4' energy: -66.103 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -89.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -924.911436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.911436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.911436 (E_RNA) where: Base-Base interactions energy: -622.493 where: short stacking energy: -278.001 Base-Backbone interact. energy: -0.161 local terms energy: -302.258041 where: bonds (distance) C4'-P energy: -59.129 bonds (distance) P-C4' energy: -54.493 flat angles C4'-P-C4' energy: -64.240 flat angles P-C4'-P energy: -45.668 tors. eta vs tors. theta energy: -78.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -868.394064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.394064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.394064 (E_RNA) where: Base-Base interactions energy: -571.065 where: short stacking energy: -275.721 Base-Backbone interact. energy: -0.579 local terms energy: -296.750423 where: bonds (distance) C4'-P energy: -62.886 bonds (distance) P-C4' energy: -54.288 flat angles C4'-P-C4' energy: -62.157 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -76.904 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: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -677.667435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.667435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.667435 (E_RNA) where: Base-Base interactions energy: -438.533 where: short stacking energy: -204.792 Base-Backbone interact. energy: 0.623 local terms energy: -239.757965 where: bonds (distance) C4'-P energy: -61.257 bonds (distance) P-C4' energy: -55.052 flat angles C4'-P-C4' energy: -48.871 flat angles P-C4'-P energy: -31.950 tors. eta vs tors. theta energy: -42.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -634.247329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.247329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.247329 (E_RNA) where: Base-Base interactions energy: -383.267 where: short stacking energy: -206.050 Base-Backbone interact. energy: -0.798 local terms energy: -250.182350 where: bonds (distance) C4'-P energy: -55.894 bonds (distance) P-C4' energy: -54.653 flat angles C4'-P-C4' energy: -51.408 flat angles P-C4'-P energy: -33.773 tors. eta vs tors. theta energy: -54.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -420.890024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.890024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.890024 (E_RNA) where: Base-Base interactions energy: -222.306 where: short stacking energy: -120.258 Base-Backbone interact. energy: 0.988 local terms energy: -199.572888 where: bonds (distance) C4'-P energy: -55.246 bonds (distance) P-C4' energy: -47.043 flat angles C4'-P-C4' energy: -54.036 flat angles P-C4'-P energy: -23.979 tors. eta vs tors. theta energy: -19.270 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: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -376.352294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.352294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.352294 (E_RNA) where: Base-Base interactions energy: -178.431 where: short stacking energy: -112.009 Base-Backbone interact. energy: -1.078 local terms energy: -196.843237 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -52.592 flat angles C4'-P-C4' energy: -49.626 flat angles P-C4'-P energy: -29.546 tors. eta vs tors. theta energy: -3.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -260.660904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.660904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.660904 (E_RNA) where: Base-Base interactions energy: -85.826 where: short stacking energy: -59.217 Base-Backbone interact. energy: 0.404 local terms energy: -175.238801 where: bonds (distance) C4'-P energy: -60.607 bonds (distance) P-C4' energy: -55.229 flat angles C4'-P-C4' energy: -41.183 flat angles P-C4'-P energy: -30.792 tors. eta vs tors. theta energy: 12.573 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: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1031.934773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.934773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.934773 (E_RNA) where: Base-Base interactions energy: -694.574 where: short stacking energy: -290.323 Base-Backbone interact. energy: -1.033 local terms energy: -336.327072 where: bonds (distance) C4'-P energy: -63.404 bonds (distance) P-C4' energy: -68.319 flat angles C4'-P-C4' energy: -70.061 flat angles P-C4'-P energy: -50.015 tors. eta vs tors. theta energy: -84.529 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: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1037.511484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.511484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.511484 (E_RNA) where: Base-Base interactions energy: -690.830 where: short stacking energy: -305.368 Base-Backbone interact. energy: -1.589 local terms energy: -345.092257 where: bonds (distance) C4'-P energy: -64.335 bonds (distance) P-C4' energy: -63.461 flat angles C4'-P-C4' energy: -72.874 flat angles P-C4'-P energy: -49.840 tors. eta vs tors. theta energy: -94.582 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: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -944.905273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.905273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.905273 (E_RNA) where: Base-Base interactions energy: -629.650 where: short stacking energy: -288.616 Base-Backbone interact. energy: -1.587 local terms energy: -313.667800 where: bonds (distance) C4'-P energy: -58.497 bonds (distance) P-C4' energy: -54.885 flat angles C4'-P-C4' energy: -64.272 flat angles P-C4'-P energy: -51.978 tors. eta vs tors. theta energy: -84.036 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: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -946.276911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.276911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.276911 (E_RNA) where: Base-Base interactions energy: -656.750 where: short stacking energy: -285.858 Base-Backbone interact. energy: -0.432 local terms energy: -289.094880 where: bonds (distance) C4'-P energy: -56.289 bonds (distance) P-C4' energy: -57.695 flat angles C4'-P-C4' energy: -54.629 flat angles P-C4'-P energy: -36.738 tors. eta vs tors. theta energy: -83.744 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: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -849.234837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.234837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.234837 (E_RNA) where: Base-Base interactions energy: -538.363 where: short stacking energy: -254.224 Base-Backbone interact. energy: -0.761 local terms energy: -310.110617 where: bonds (distance) C4'-P energy: -56.115 bonds (distance) P-C4' energy: -58.394 flat angles C4'-P-C4' energy: -69.384 flat angles P-C4'-P energy: -43.779 tors. eta vs tors. theta energy: -82.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -708.732765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.732765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.732765 (E_RNA) where: Base-Base interactions energy: -448.262 where: short stacking energy: -208.214 Base-Backbone interact. energy: 0.317 local terms energy: -260.788383 where: bonds (distance) C4'-P energy: -61.504 bonds (distance) P-C4' energy: -61.037 flat angles C4'-P-C4' energy: -59.452 flat angles P-C4'-P energy: -33.627 tors. eta vs tors. theta energy: -45.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -617.427181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.427181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.427181 (E_RNA) where: Base-Base interactions energy: -386.800 where: short stacking energy: -174.801 Base-Backbone interact. energy: -1.823 local terms energy: -228.804519 where: bonds (distance) C4'-P energy: -45.293 bonds (distance) P-C4' energy: -64.353 flat angles C4'-P-C4' energy: -60.747 flat angles P-C4'-P energy: -29.241 tors. eta vs tors. theta energy: -29.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -433.113607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.113607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.113607 (E_RNA) where: Base-Base interactions energy: -240.766 where: short stacking energy: -148.671 Base-Backbone interact. energy: -1.502 local terms energy: -190.845639 where: bonds (distance) C4'-P energy: -51.006 bonds (distance) P-C4' energy: -46.806 flat angles C4'-P-C4' energy: -52.350 flat angles P-C4'-P energy: -20.559 tors. eta vs tors. theta energy: -20.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -336.659192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.659192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.659192 (E_RNA) where: Base-Base interactions energy: -149.458 where: short stacking energy: -95.338 Base-Backbone interact. energy: -1.896 local terms energy: -185.305574 where: bonds (distance) C4'-P energy: -46.371 bonds (distance) P-C4' energy: -52.047 flat angles C4'-P-C4' energy: -50.787 flat angles P-C4'-P energy: -30.404 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -287.123967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.123967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.123967 (E_RNA) where: Base-Base interactions energy: -101.007 where: short stacking energy: -73.406 Base-Backbone interact. energy: -0.516 local terms energy: -185.600354 where: bonds (distance) C4'-P energy: -44.957 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -36.439 flat angles P-C4'-P energy: -43.746 tors. eta vs tors. theta energy: 4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1015.231565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.231565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.231565 (E_RNA) where: Base-Base interactions energy: -689.592 where: short stacking energy: -302.729 Base-Backbone interact. energy: -2.504 local terms energy: -323.134901 where: bonds (distance) C4'-P energy: -56.455 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -65.481 flat angles P-C4'-P energy: -46.102 tors. eta vs tors. theta energy: -84.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1016.581999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.581999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.581999 (E_RNA) where: Base-Base interactions energy: -688.647 where: short stacking energy: -321.104 Base-Backbone interact. energy: 1.820 local terms energy: -329.755631 where: bonds (distance) C4'-P energy: -59.970 bonds (distance) P-C4' energy: -63.186 flat angles C4'-P-C4' energy: -69.600 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -87.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -920.674841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.674841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.674841 (E_RNA) where: Base-Base interactions energy: -596.671 where: short stacking energy: -280.704 Base-Backbone interact. energy: -1.038 local terms energy: -322.965085 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -62.251 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -40.137 tors. eta vs tors. theta energy: -84.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -894.887006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.887006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.887006 (E_RNA) where: Base-Base interactions energy: -617.244 where: short stacking energy: -265.929 Base-Backbone interact. energy: -1.146 local terms energy: -276.496940 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -62.672 flat angles C4'-P-C4' energy: -63.624 flat angles P-C4'-P energy: -33.039 tors. eta vs tors. theta energy: -62.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -826.094134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.094134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.094134 (E_RNA) where: Base-Base interactions energy: -547.883 where: short stacking energy: -243.896 Base-Backbone interact. energy: -1.935 local terms energy: -276.275984 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -47.459 flat angles C4'-P-C4' energy: -60.816 flat angles P-C4'-P energy: -38.802 tors. eta vs tors. theta energy: -72.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -730.939519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.939519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.939519 (E_RNA) where: Base-Base interactions energy: -461.839 where: short stacking energy: -216.187 Base-Backbone interact. energy: -0.922 local terms energy: -268.178872 where: bonds (distance) C4'-P energy: -58.337 bonds (distance) P-C4' energy: -57.454 flat angles C4'-P-C4' energy: -54.620 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -49.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -581.179504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.179504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.179504 (E_RNA) where: Base-Base interactions energy: -358.516 where: short stacking energy: -163.034 Base-Backbone interact. energy: -1.064 local terms energy: -221.600167 where: bonds (distance) C4'-P energy: -49.515 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -54.844 flat angles P-C4'-P energy: -31.283 tors. eta vs tors. theta energy: -27.801 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: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -393.001280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.001280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.001280 (E_RNA) where: Base-Base interactions energy: -210.120 where: short stacking energy: -94.543 Base-Backbone interact. energy: -1.774 local terms energy: -181.108110 where: bonds (distance) C4'-P energy: -49.987 bonds (distance) P-C4' energy: -51.848 flat angles C4'-P-C4' energy: -52.679 flat angles P-C4'-P energy: -28.920 tors. eta vs tors. theta energy: 2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -398.388559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.388559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.388559 (E_RNA) where: Base-Base interactions energy: -202.637 where: short stacking energy: -120.203 Base-Backbone interact. energy: -0.452 local terms energy: -195.299846 where: bonds (distance) C4'-P energy: -45.502 bonds (distance) P-C4' energy: -58.827 flat angles C4'-P-C4' energy: -52.464 flat angles P-C4'-P energy: -19.298 tors. eta vs tors. theta energy: -19.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -286.200996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.200996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.200996 (E_RNA) where: Base-Base interactions energy: -115.025 where: short stacking energy: -81.080 Base-Backbone interact. energy: 1.356 local terms energy: -172.531675 where: bonds (distance) C4'-P energy: -51.678 bonds (distance) P-C4' energy: -41.991 flat angles C4'-P-C4' energy: -44.197 flat angles P-C4'-P energy: -33.558 tors. eta vs tors. theta energy: -1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1046.709824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.709824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.709824 (E_RNA) where: Base-Base interactions energy: -713.089 where: short stacking energy: -319.981 Base-Backbone interact. energy: -1.405 local terms energy: -332.215722 where: bonds (distance) C4'-P energy: -55.554 bonds (distance) P-C4' energy: -74.049 flat angles C4'-P-C4' energy: -69.219 flat angles P-C4'-P energy: -44.679 tors. eta vs tors. theta energy: -88.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1033.040602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.040602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.040602 (E_RNA) where: Base-Base interactions energy: -709.951 where: short stacking energy: -304.363 Base-Backbone interact. energy: -1.514 local terms energy: -321.574781 where: bonds (distance) C4'-P energy: -60.282 bonds (distance) P-C4' energy: -64.812 flat angles C4'-P-C4' energy: -68.905 flat angles P-C4'-P energy: -40.923 tors. eta vs tors. theta energy: -86.652 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: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -935.981770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.981770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.981770 (E_RNA) where: Base-Base interactions energy: -606.031 where: short stacking energy: -294.346 Base-Backbone interact. energy: -0.704 local terms energy: -329.246838 where: bonds (distance) C4'-P energy: -58.664 bonds (distance) P-C4' energy: -63.502 flat angles C4'-P-C4' energy: -71.762 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -91.399 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: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -895.880249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.880249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.880249 (E_RNA) where: Base-Base interactions energy: -599.853 where: short stacking energy: -263.990 Base-Backbone interact. energy: -0.190 local terms energy: -295.837217 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -62.318 flat angles C4'-P-C4' energy: -65.807 flat angles P-C4'-P energy: -41.370 tors. eta vs tors. theta energy: -70.854 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: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -854.181578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.181578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.181578 (E_RNA) where: Base-Base interactions energy: -568.856 where: short stacking energy: -280.156 Base-Backbone interact. energy: -0.460 local terms energy: -284.865461 where: bonds (distance) C4'-P energy: -57.450 bonds (distance) P-C4' energy: -43.065 flat angles C4'-P-C4' energy: -63.621 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -80.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -712.864897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.864897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.864897 (E_RNA) where: Base-Base interactions energy: -435.279 where: short stacking energy: -192.716 Base-Backbone interact. energy: -1.259 local terms energy: -276.326496 where: bonds (distance) C4'-P energy: -62.214 bonds (distance) P-C4' energy: -56.125 flat angles C4'-P-C4' energy: -66.768 flat angles P-C4'-P energy: -42.799 tors. eta vs tors. theta energy: -48.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -533.404683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.404683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.404683 (E_RNA) where: Base-Base interactions energy: -301.643 where: short stacking energy: -145.594 Base-Backbone interact. energy: -1.360 local terms energy: -230.402258 where: bonds (distance) C4'-P energy: -61.120 bonds (distance) P-C4' energy: -53.320 flat angles C4'-P-C4' energy: -63.868 flat angles P-C4'-P energy: -35.120 tors. eta vs tors. theta energy: -16.974 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: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -398.304997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.304997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.304997 (E_RNA) where: Base-Base interactions energy: -202.352 where: short stacking energy: -121.592 Base-Backbone interact. energy: -0.504 local terms energy: -195.448649 where: bonds (distance) C4'-P energy: -50.665 bonds (distance) P-C4' energy: -53.740 flat angles C4'-P-C4' energy: -50.897 flat angles P-C4'-P energy: -27.647 tors. eta vs tors. theta energy: -12.500 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: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -402.894787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.894787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.894787 (E_RNA) where: Base-Base interactions energy: -193.348 where: short stacking energy: -119.939 Base-Backbone interact. energy: -0.247 local terms energy: -209.300393 where: bonds (distance) C4'-P energy: -63.063 bonds (distance) P-C4' energy: -54.233 flat angles C4'-P-C4' energy: -37.352 flat angles P-C4'-P energy: -38.937 tors. eta vs tors. theta energy: -15.715 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: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -282.119301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.119301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.119301 (E_RNA) where: Base-Base interactions energy: -107.122 where: short stacking energy: -99.679 Base-Backbone interact. energy: 1.110 local terms energy: -176.106772 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -59.813 flat angles C4'-P-C4' energy: -28.584 flat angles P-C4'-P energy: -26.449 tors. eta vs tors. theta energy: -4.527 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: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1036.210410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.210410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.210410 (E_RNA) where: Base-Base interactions energy: -701.861 where: short stacking energy: -324.128 Base-Backbone interact. energy: -2.615 local terms energy: -331.734281 where: bonds (distance) C4'-P energy: -67.159 bonds (distance) P-C4' energy: -57.236 flat angles C4'-P-C4' energy: -65.211 flat angles P-C4'-P energy: -47.725 tors. eta vs tors. theta energy: -94.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1050.440239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.440239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.440239 (E_RNA) where: Base-Base interactions energy: -725.473 where: short stacking energy: -324.938 Base-Backbone interact. energy: -0.975 local terms energy: -323.992254 where: bonds (distance) C4'-P energy: -58.619 bonds (distance) P-C4' energy: -61.979 flat angles C4'-P-C4' energy: -67.240 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -92.055 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: 191 Temperature: 1.000000 Total energy: -949.567456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.567456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.567456 (E_RNA) where: Base-Base interactions energy: -618.149 where: short stacking energy: -289.493 Base-Backbone interact. energy: 2.601 local terms energy: -334.019170 where: bonds (distance) C4'-P energy: -67.572 bonds (distance) P-C4' energy: -70.982 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -47.491 tors. eta vs tors. theta energy: -77.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -916.041559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.041559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.041559 (E_RNA) where: Base-Base interactions energy: -625.562 where: short stacking energy: -283.766 Base-Backbone interact. energy: -0.155 local terms energy: -290.323972 where: bonds (distance) C4'-P energy: -50.842 bonds (distance) P-C4' energy: -55.256 flat angles C4'-P-C4' energy: -70.514 flat angles P-C4'-P energy: -41.019 tors. eta vs tors. theta energy: -72.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -866.229182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.229182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.229182 (E_RNA) where: Base-Base interactions energy: -565.204 where: short stacking energy: -270.200 Base-Backbone interact. energy: -1.327 local terms energy: -299.697881 where: bonds (distance) C4'-P energy: -50.976 bonds (distance) P-C4' energy: -58.947 flat angles C4'-P-C4' energy: -60.134 flat angles P-C4'-P energy: -50.073 tors. eta vs tors. theta energy: -79.568 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: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -683.831095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.831095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.831095 (E_RNA) where: Base-Base interactions energy: -431.495 where: short stacking energy: -211.813 Base-Backbone interact. energy: 0.682 local terms energy: -253.018405 where: bonds (distance) C4'-P energy: -54.867 bonds (distance) P-C4' energy: -52.516 flat angles C4'-P-C4' energy: -60.509 flat angles P-C4'-P energy: -38.202 tors. eta vs tors. theta energy: -46.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -525.480574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.480574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.480574 (E_RNA) where: Base-Base interactions energy: -304.203 where: short stacking energy: -149.505 Base-Backbone interact. energy: 2.012 local terms energy: -223.289563 where: bonds (distance) C4'-P energy: -56.340 bonds (distance) P-C4' energy: -56.103 flat angles C4'-P-C4' energy: -52.072 flat angles P-C4'-P energy: -36.591 tors. eta vs tors. theta energy: -22.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -467.992593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.992593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.992593 (E_RNA) where: Base-Base interactions energy: -235.047 where: short stacking energy: -154.642 Base-Backbone interact. energy: 0.611 local terms energy: -233.556614 where: bonds (distance) C4'-P energy: -62.577 bonds (distance) P-C4' energy: -54.715 flat angles C4'-P-C4' energy: -51.530 flat angles P-C4'-P energy: -38.250 tors. eta vs tors. theta energy: -26.485 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: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -408.416869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.416869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.416869 (E_RNA) where: Base-Base interactions energy: -227.742 where: short stacking energy: -114.856 Base-Backbone interact. energy: -0.012 local terms energy: -180.662706 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -54.977 flat angles C4'-P-C4' energy: -49.525 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -8.663 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: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -262.526720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.526720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.526720 (E_RNA) where: Base-Base interactions energy: -99.152 where: short stacking energy: -82.601 Base-Backbone interact. energy: 5.970 local terms energy: -169.344598 where: bonds (distance) C4'-P energy: -51.277 bonds (distance) P-C4' energy: -51.551 flat angles C4'-P-C4' energy: -39.762 flat angles P-C4'-P energy: -33.767 tors. eta vs tors. theta energy: 7.011 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: 9 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1035.335394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.335394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.335394 (E_RNA) where: Base-Base interactions energy: -706.627 where: short stacking energy: -318.782 Base-Backbone interact. energy: -1.684 local terms energy: -327.024397 where: bonds (distance) C4'-P energy: -65.418 bonds (distance) P-C4' energy: -64.533 flat angles C4'-P-C4' energy: -71.511 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: -87.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1027.163018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.163018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.163018 (E_RNA) where: Base-Base interactions energy: -693.192 where: short stacking energy: -305.414 Base-Backbone interact. energy: -1.901 local terms energy: -332.070474 where: bonds (distance) C4'-P energy: -68.940 bonds (distance) P-C4' energy: -70.838 flat angles C4'-P-C4' energy: -59.769 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -85.066 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: 192 Temperature: 1.000000 Total energy: -944.559402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.559402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.559402 (E_RNA) where: Base-Base interactions energy: -631.546 where: short stacking energy: -311.065 Base-Backbone interact. energy: -0.113 local terms energy: -312.901118 where: bonds (distance) C4'-P energy: -43.785 bonds (distance) P-C4' energy: -66.820 flat angles C4'-P-C4' energy: -63.266 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -94.838 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: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -910.525699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.525699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.525699 (E_RNA) where: Base-Base interactions energy: -617.951 where: short stacking energy: -263.282 Base-Backbone interact. energy: 0.041 local terms energy: -292.616616 where: bonds (distance) C4'-P energy: -56.936 bonds (distance) P-C4' energy: -60.866 flat angles C4'-P-C4' energy: -63.737 flat angles P-C4'-P energy: -35.972 tors. eta vs tors. theta energy: -75.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -833.297904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.297904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.297904 (E_RNA) where: Base-Base interactions energy: -537.066 where: short stacking energy: -270.533 Base-Backbone interact. energy: 2.309 local terms energy: -298.540142 where: bonds (distance) C4'-P energy: -58.826 bonds (distance) P-C4' energy: -63.961 flat angles C4'-P-C4' energy: -58.495 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -73.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -715.505101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.505101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.505101 (E_RNA) where: Base-Base interactions energy: -451.141 where: short stacking energy: -217.045 Base-Backbone interact. energy: 6.884 local terms energy: -271.247486 where: bonds (distance) C4'-P energy: -53.571 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -61.068 flat angles P-C4'-P energy: -27.926 tors. eta vs tors. theta energy: -64.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -506.605857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.605857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.605857 (E_RNA) where: Base-Base interactions energy: -277.441 where: short stacking energy: -163.043 Base-Backbone interact. energy: -1.526 local terms energy: -227.639082 where: bonds (distance) C4'-P energy: -52.748 bonds (distance) P-C4' energy: -48.703 flat angles C4'-P-C4' energy: -59.311 flat angles P-C4'-P energy: -35.339 tors. eta vs tors. theta energy: -31.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -418.499934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.499934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.499934 (E_RNA) where: Base-Base interactions energy: -225.551 where: short stacking energy: -126.162 Base-Backbone interact. energy: 0.896 local terms energy: -193.844110 where: bonds (distance) C4'-P energy: -53.605 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -45.704 flat angles P-C4'-P energy: -33.947 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -398.868863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.868863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.868863 (E_RNA) where: Base-Base interactions energy: -185.141 where: short stacking energy: -126.653 Base-Backbone interact. energy: -0.539 local terms energy: -213.188295 where: bonds (distance) C4'-P energy: -48.100 bonds (distance) P-C4' energy: -56.641 flat angles C4'-P-C4' energy: -51.251 flat angles P-C4'-P energy: -37.119 tors. eta vs tors. theta energy: -20.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -312.439652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.439652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.439652 (E_RNA) where: Base-Base interactions energy: -118.036 where: short stacking energy: -94.087 Base-Backbone interact. energy: -0.328 local terms energy: -194.076254 where: bonds (distance) C4'-P energy: -60.517 bonds (distance) P-C4' energy: -50.008 flat angles C4'-P-C4' energy: -53.316 flat angles P-C4'-P energy: -32.801 tors. eta vs tors. theta energy: 2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1054.460210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.460210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.460210 (E_RNA) where: Base-Base interactions energy: -710.583 where: short stacking energy: -325.170 Base-Backbone interact. energy: -1.667 local terms energy: -342.209913 where: bonds (distance) C4'-P energy: -69.269 bonds (distance) P-C4' energy: -60.608 flat angles C4'-P-C4' energy: -72.822 flat angles P-C4'-P energy: -52.284 tors. eta vs tors. theta energy: -87.227 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: 193 Temperature: 0.950000 Total energy: -1003.953733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.953733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.953733 (E_RNA) where: Base-Base interactions energy: -696.444 where: short stacking energy: -303.071 Base-Backbone interact. energy: 0.341 local terms energy: -307.850192 where: bonds (distance) C4'-P energy: -51.593 bonds (distance) P-C4' energy: -59.191 flat angles C4'-P-C4' energy: -67.769 flat angles P-C4'-P energy: -39.099 tors. eta vs tors. theta energy: -90.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -932.357398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.357398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.357398 (E_RNA) where: Base-Base interactions energy: -612.226 where: short stacking energy: -294.349 Base-Backbone interact. energy: -1.014 local terms energy: -319.117121 where: bonds (distance) C4'-P energy: -62.096 bonds (distance) P-C4' energy: -60.197 flat angles C4'-P-C4' energy: -63.779 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -82.047 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: 193 Temperature: 1.050000 Total energy: -926.325682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.325682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.325682 (E_RNA) where: Base-Base interactions energy: -626.598 where: short stacking energy: -280.576 Base-Backbone interact. energy: -0.969 local terms energy: -298.757959 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -57.614 flat angles P-C4'-P energy: -40.673 tors. eta vs tors. theta energy: -74.714 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: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -867.295834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.295834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.295834 (E_RNA) where: Base-Base interactions energy: -581.991 where: short stacking energy: -288.109 Base-Backbone interact. energy: 1.890 local terms energy: -287.194618 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -63.910 flat angles P-C4'-P energy: -39.749 tors. eta vs tors. theta energy: -71.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -730.531027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.531027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.531027 (E_RNA) where: Base-Base interactions energy: -478.219 where: short stacking energy: -241.633 Base-Backbone interact. energy: 2.540 local terms energy: -254.852129 where: bonds (distance) C4'-P energy: -60.876 bonds (distance) P-C4' energy: -51.362 flat angles C4'-P-C4' energy: -62.603 flat angles P-C4'-P energy: -26.282 tors. eta vs tors. theta energy: -53.729 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: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -540.752288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.752288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.752288 (E_RNA) where: Base-Base interactions energy: -303.546 where: short stacking energy: -172.666 Base-Backbone interact. energy: -0.105 local terms energy: -237.100694 where: bonds (distance) C4'-P energy: -54.807 bonds (distance) P-C4' energy: -52.211 flat angles C4'-P-C4' energy: -62.695 flat angles P-C4'-P energy: -41.245 tors. eta vs tors. theta energy: -26.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -391.922958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.922958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.922958 (E_RNA) where: Base-Base interactions energy: -203.075 where: short stacking energy: -120.494 Base-Backbone interact. energy: 0.817 local terms energy: -189.664218 where: bonds (distance) C4'-P energy: -49.159 bonds (distance) P-C4' energy: -59.031 flat angles C4'-P-C4' energy: -39.661 flat angles P-C4'-P energy: -41.232 tors. eta vs tors. theta energy: -0.581 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: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -389.183175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.183175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.183175 (E_RNA) where: Base-Base interactions energy: -184.817 where: short stacking energy: -115.889 Base-Backbone interact. energy: -1.471 local terms energy: -202.895045 where: bonds (distance) C4'-P energy: -44.959 bonds (distance) P-C4' energy: -53.075 flat angles C4'-P-C4' energy: -53.352 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: -10.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -278.204326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.204326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.204326 (E_RNA) where: Base-Base interactions energy: -100.638 where: short stacking energy: -78.514 Base-Backbone interact. energy: -1.386 local terms energy: -176.179739 where: bonds (distance) C4'-P energy: -60.233 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -41.397 flat angles P-C4'-P energy: -27.493 tors. eta vs tors. theta energy: 12.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1050.471788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.471788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.471788 (E_RNA) where: Base-Base interactions energy: -698.279 where: short stacking energy: -324.447 Base-Backbone interact. energy: -1.427 local terms energy: -350.765617 where: bonds (distance) C4'-P energy: -62.913 bonds (distance) P-C4' energy: -76.284 flat angles C4'-P-C4' energy: -74.206 flat angles P-C4'-P energy: -48.323 tors. eta vs tors. theta energy: -89.039 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: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1030.400558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.400558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.400558 (E_RNA) where: Base-Base interactions energy: -694.506 where: short stacking energy: -301.091 Base-Backbone interact. energy: -1.758 local terms energy: -334.136688 where: bonds (distance) C4'-P energy: -71.575 bonds (distance) P-C4' energy: -63.065 flat angles C4'-P-C4' energy: -62.818 flat angles P-C4'-P energy: -53.372 tors. eta vs tors. theta energy: -83.308 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: 194 Temperature: 1.000000 Total energy: -943.687198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.687198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.687198 (E_RNA) where: Base-Base interactions energy: -636.646 where: short stacking energy: -280.396 Base-Backbone interact. energy: -1.291 local terms energy: -305.750311 where: bonds (distance) C4'-P energy: -57.100 bonds (distance) P-C4' energy: -65.938 flat angles C4'-P-C4' energy: -66.730 flat angles P-C4'-P energy: -42.194 tors. eta vs tors. theta energy: -73.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -899.095542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.095542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.095542 (E_RNA) where: Base-Base interactions energy: -584.592 where: short stacking energy: -282.862 Base-Backbone interact. energy: -0.345 local terms energy: -314.157864 where: bonds (distance) C4'-P energy: -59.335 bonds (distance) P-C4' energy: -65.217 flat angles C4'-P-C4' energy: -64.976 flat angles P-C4'-P energy: -49.016 tors. eta vs tors. theta energy: -75.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -828.582452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.582452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.582452 (E_RNA) where: Base-Base interactions energy: -546.735 where: short stacking energy: -244.293 Base-Backbone interact. energy: -0.072 local terms energy: -281.775339 where: bonds (distance) C4'-P energy: -50.767 bonds (distance) P-C4' energy: -57.365 flat angles C4'-P-C4' energy: -69.930 flat angles P-C4'-P energy: -40.939 tors. eta vs tors. theta energy: -62.775 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: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -736.953940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.953940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.953940 (E_RNA) where: Base-Base interactions energy: -463.169 where: short stacking energy: -215.975 Base-Backbone interact. energy: -1.126 local terms energy: -272.659735 where: bonds (distance) C4'-P energy: -52.437 bonds (distance) P-C4' energy: -56.783 flat angles C4'-P-C4' energy: -61.628 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -61.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -533.241965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.241965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.241965 (E_RNA) where: Base-Base interactions energy: -302.824 where: short stacking energy: -174.387 Base-Backbone interact. energy: 1.308 local terms energy: -231.726152 where: bonds (distance) C4'-P energy: -59.906 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -60.903 flat angles P-C4'-P energy: -28.488 tors. eta vs tors. theta energy: -25.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -414.488937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.488937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.488937 (E_RNA) where: Base-Base interactions energy: -221.643 where: short stacking energy: -123.870 Base-Backbone interact. energy: 0.757 local terms energy: -193.602663 where: bonds (distance) C4'-P energy: -47.829 bonds (distance) P-C4' energy: -54.908 flat angles C4'-P-C4' energy: -53.925 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -424.826330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.826330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.826330 (E_RNA) where: Base-Base interactions energy: -237.316 where: short stacking energy: -114.145 Base-Backbone interact. energy: -2.784 local terms energy: -184.726581 where: bonds (distance) C4'-P energy: -43.926 bonds (distance) P-C4' energy: -52.923 flat angles C4'-P-C4' energy: -42.755 flat angles P-C4'-P energy: -31.815 tors. eta vs tors. theta energy: -13.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -276.763301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.763301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.763301 (E_RNA) where: Base-Base interactions energy: -120.015 where: short stacking energy: -77.921 Base-Backbone interact. energy: -1.579 local terms energy: -155.169636 where: bonds (distance) C4'-P energy: -40.954 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -38.964 flat angles P-C4'-P energy: -23.682 tors. eta vs tors. theta energy: 8.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1049.959220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.959220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.959220 (E_RNA) where: Base-Base interactions energy: -706.416 where: short stacking energy: -316.790 Base-Backbone interact. energy: -1.456 local terms energy: -342.087746 where: bonds (distance) C4'-P energy: -73.413 bonds (distance) P-C4' energy: -61.100 flat angles C4'-P-C4' energy: -78.256 flat angles P-C4'-P energy: -41.933 tors. eta vs tors. theta energy: -87.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1019.851115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.851115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.851115 (E_RNA) where: Base-Base interactions energy: -694.957 where: short stacking energy: -305.532 Base-Backbone interact. energy: -1.072 local terms energy: -323.822360 where: bonds (distance) C4'-P energy: -63.900 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -71.880 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -84.722 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: 2 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -938.289012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.289012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.289012 (E_RNA) where: Base-Base interactions energy: -634.854 where: short stacking energy: -269.737 Base-Backbone interact. energy: -0.610 local terms energy: -302.825186 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -65.213 flat angles C4'-P-C4' energy: -62.350 flat angles P-C4'-P energy: -43.204 tors. eta vs tors. theta energy: -73.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -873.030660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.030660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.030660 (E_RNA) where: Base-Base interactions energy: -584.829 where: short stacking energy: -255.053 Base-Backbone interact. energy: -0.754 local terms energy: -287.448155 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -64.406 flat angles C4'-P-C4' energy: -66.214 flat angles P-C4'-P energy: -29.441 tors. eta vs tors. theta energy: -65.214 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: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -865.400687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.400687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.400687 (E_RNA) where: Base-Base interactions energy: -551.213 where: short stacking energy: -274.639 Base-Backbone interact. energy: -2.158 local terms energy: -312.029795 where: bonds (distance) C4'-P energy: -65.430 bonds (distance) P-C4' energy: -51.532 flat angles C4'-P-C4' energy: -71.856 flat angles P-C4'-P energy: -43.846 tors. eta vs tors. theta energy: -79.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -710.577294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.577294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.577294 (E_RNA) where: Base-Base interactions energy: -445.711 where: short stacking energy: -213.845 Base-Backbone interact. energy: -1.853 local terms energy: -263.013335 where: bonds (distance) C4'-P energy: -52.846 bonds (distance) P-C4' energy: -57.630 flat angles C4'-P-C4' energy: -63.243 flat angles P-C4'-P energy: -31.141 tors. eta vs tors. theta energy: -58.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -541.194158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.194158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.194158 (E_RNA) where: Base-Base interactions energy: -321.759 where: short stacking energy: -169.292 Base-Backbone interact. energy: 3.520 local terms energy: -222.955372 where: bonds (distance) C4'-P energy: -52.268 bonds (distance) P-C4' energy: -51.121 flat angles C4'-P-C4' energy: -45.485 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -29.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -442.496344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.496344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.496344 (E_RNA) where: Base-Base interactions energy: -250.967 where: short stacking energy: -139.486 Base-Backbone interact. energy: -0.159 local terms energy: -191.369998 where: bonds (distance) C4'-P energy: -49.041 bonds (distance) P-C4' energy: -48.874 flat angles C4'-P-C4' energy: -58.215 flat angles P-C4'-P energy: -21.623 tors. eta vs tors. theta energy: -13.617 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: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -395.917662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.917662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.917662 (E_RNA) where: Base-Base interactions energy: -208.003 where: short stacking energy: -123.215 Base-Backbone interact. energy: -1.092 local terms energy: -186.823014 where: bonds (distance) C4'-P energy: -44.123 bonds (distance) P-C4' energy: -58.066 flat angles C4'-P-C4' energy: -46.011 flat angles P-C4'-P energy: -25.304 tors. eta vs tors. theta energy: -13.319 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: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -267.617851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.617851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.617851 (E_RNA) where: Base-Base interactions energy: -84.246 where: short stacking energy: -77.889 Base-Backbone interact. energy: 1.491 local terms energy: -184.863497 where: bonds (distance) C4'-P energy: -51.229 bonds (distance) P-C4' energy: -53.467 flat angles C4'-P-C4' energy: -47.349 flat angles P-C4'-P energy: -32.971 tors. eta vs tors. theta energy: 0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1056.218986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.218986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.218986 (E_RNA) where: Base-Base interactions energy: -708.702 where: short stacking energy: -328.806 Base-Backbone interact. energy: -2.202 local terms energy: -345.314528 where: bonds (distance) C4'-P energy: -66.394 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -49.503 tors. eta vs tors. theta energy: -88.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1003.201099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.201099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.201099 (E_RNA) where: Base-Base interactions energy: -705.207 where: short stacking energy: -311.550 Base-Backbone interact. energy: -1.215 local terms energy: -296.778972 where: bonds (distance) C4'-P energy: -58.929 bonds (distance) P-C4' energy: -50.300 flat angles C4'-P-C4' energy: -69.748 flat angles P-C4'-P energy: -31.813 tors. eta vs tors. theta energy: -85.989 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: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -930.119866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.119866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.119866 (E_RNA) where: Base-Base interactions energy: -614.916 where: short stacking energy: -264.070 Base-Backbone interact. energy: -1.147 local terms energy: -314.056981 where: bonds (distance) C4'-P energy: -68.696 bonds (distance) P-C4' energy: -70.018 flat angles C4'-P-C4' energy: -61.918 flat angles P-C4'-P energy: -46.340 tors. eta vs tors. theta energy: -67.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -917.382007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.382007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.382007 (E_RNA) where: Base-Base interactions energy: -610.301 where: short stacking energy: -285.576 Base-Backbone interact. energy: -0.330 local terms energy: -306.751287 where: bonds (distance) C4'-P energy: -56.178 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -65.879 flat angles P-C4'-P energy: -41.859 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: 5, replica: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -839.282745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.282745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.282745 (E_RNA) where: Base-Base interactions energy: -576.872 where: short stacking energy: -276.011 Base-Backbone interact. energy: 0.156 local terms energy: -262.567168 where: bonds (distance) C4'-P energy: -50.513 bonds (distance) P-C4' energy: -36.102 flat angles C4'-P-C4' energy: -58.669 flat angles P-C4'-P energy: -45.826 tors. eta vs tors. theta energy: -71.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -696.771556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.771556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.771556 (E_RNA) where: Base-Base interactions energy: -431.225 where: short stacking energy: -219.474 Base-Backbone interact. energy: -0.329 local terms energy: -265.217975 where: bonds (distance) C4'-P energy: -50.778 bonds (distance) P-C4' energy: -61.657 flat angles C4'-P-C4' energy: -65.052 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: -50.935 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: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -513.436208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.436208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.436208 (E_RNA) where: Base-Base interactions energy: -303.534 where: short stacking energy: -131.161 Base-Backbone interact. energy: -0.143 local terms energy: -209.759181 where: bonds (distance) C4'-P energy: -53.993 bonds (distance) P-C4' energy: -62.797 flat angles C4'-P-C4' energy: -50.581 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -419.913600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.913600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.913600 (E_RNA) where: Base-Base interactions energy: -233.043 where: short stacking energy: -123.444 Base-Backbone interact. energy: 2.168 local terms energy: -189.038540 where: bonds (distance) C4'-P energy: -53.284 bonds (distance) P-C4' energy: -48.287 flat angles C4'-P-C4' energy: -42.192 flat angles P-C4'-P energy: -24.922 tors. eta vs tors. theta energy: -20.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -433.736242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.736242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.736242 (E_RNA) where: Base-Base interactions energy: -223.256 where: short stacking energy: -122.305 Base-Backbone interact. energy: 4.389 local terms energy: -214.868881 where: bonds (distance) C4'-P energy: -61.404 bonds (distance) P-C4' energy: -57.913 flat angles C4'-P-C4' energy: -56.247 flat angles P-C4'-P energy: -28.402 tors. eta vs tors. theta energy: -10.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -265.364140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.364140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.364140 (E_RNA) where: Base-Base interactions energy: -107.356 where: short stacking energy: -92.673 Base-Backbone interact. energy: -1.515 local terms energy: -156.493409 where: bonds (distance) C4'-P energy: -53.020 bonds (distance) P-C4' energy: -44.504 flat angles C4'-P-C4' energy: -28.361 flat angles P-C4'-P energy: -31.431 tors. eta vs tors. theta energy: 0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1072.312825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.312825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.312825 (E_RNA) where: Base-Base interactions energy: -729.714 where: short stacking energy: -319.918 Base-Backbone interact. energy: -2.745 local terms energy: -339.854120 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -66.268 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: -90.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1029.635983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.635983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.635983 (E_RNA) where: Base-Base interactions energy: -701.580 where: short stacking energy: -303.982 Base-Backbone interact. energy: -0.241 local terms energy: -327.815429 where: bonds (distance) C4'-P energy: -58.663 bonds (distance) P-C4' energy: -68.250 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -51.781 tors. eta vs tors. theta energy: -82.146 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: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -940.851690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.851690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.851690 (E_RNA) where: Base-Base interactions energy: -635.830 where: short stacking energy: -284.061 Base-Backbone interact. energy: -1.585 local terms energy: -303.436882 where: bonds (distance) C4'-P energy: -59.447 bonds (distance) P-C4' energy: -52.415 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -73.712 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: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -916.476142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.476142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.476142 (E_RNA) where: Base-Base interactions energy: -603.251 where: short stacking energy: -280.902 Base-Backbone interact. energy: -0.111 local terms energy: -313.114546 where: bonds (distance) C4'-P energy: -58.813 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -67.135 flat angles P-C4'-P energy: -48.597 tors. eta vs tors. theta energy: -80.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -847.978377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.978377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.978377 (E_RNA) where: Base-Base interactions energy: -543.996 where: short stacking energy: -242.071 Base-Backbone interact. energy: -0.755 local terms energy: -303.228043 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -56.865 flat angles C4'-P-C4' energy: -72.052 flat angles P-C4'-P energy: -41.912 tors. eta vs tors. theta energy: -68.472 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: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -754.095511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.095511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.095511 (E_RNA) where: Base-Base interactions energy: -461.334 where: short stacking energy: -237.162 Base-Backbone interact. energy: -1.060 local terms energy: -291.701618 where: bonds (distance) C4'-P energy: -44.525 bonds (distance) P-C4' energy: -63.426 flat angles C4'-P-C4' energy: -69.762 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: -69.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -607.198813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.198813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.198813 (E_RNA) where: Base-Base interactions energy: -390.964 where: short stacking energy: -166.978 Base-Backbone interact. energy: 3.717 local terms energy: -219.951197 where: bonds (distance) C4'-P energy: -47.898 bonds (distance) P-C4' energy: -57.323 flat angles C4'-P-C4' energy: -57.469 flat angles P-C4'-P energy: -31.372 tors. eta vs tors. theta energy: -25.889 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -496.007221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.007221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.007221 (E_RNA) where: Base-Base interactions energy: -280.578 where: short stacking energy: -154.489 Base-Backbone interact. energy: -0.037 local terms energy: -215.392922 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -68.051 flat angles C4'-P-C4' energy: -50.181 flat angles P-C4'-P energy: -23.426 tors. eta vs tors. theta energy: -18.406 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -367.332716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.332716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.332716 (E_RNA) where: Base-Base interactions energy: -182.360 where: short stacking energy: -113.275 Base-Backbone interact. energy: -0.474 local terms energy: -184.498700 where: bonds (distance) C4'-P energy: -44.225 bonds (distance) P-C4' energy: -57.113 flat angles C4'-P-C4' energy: -57.674 flat angles P-C4'-P energy: -24.968 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -322.638162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.638162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.638162 (E_RNA) where: Base-Base interactions energy: -138.549 where: short stacking energy: -104.409 Base-Backbone interact. energy: -0.313 local terms energy: -183.775672 where: bonds (distance) C4'-P energy: -60.803 bonds (distance) P-C4' energy: -51.282 flat angles C4'-P-C4' energy: -36.452 flat angles P-C4'-P energy: -34.757 tors. eta vs tors. theta energy: -0.481 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: 9 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1028.677319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.677319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.677319 (E_RNA) where: Base-Base interactions energy: -695.239 where: short stacking energy: -300.779 Base-Backbone interact. energy: -1.897 local terms energy: -331.540791 where: bonds (distance) C4'-P energy: -64.434 bonds (distance) P-C4' energy: -57.859 flat angles C4'-P-C4' energy: -75.613 flat angles P-C4'-P energy: -55.186 tors. eta vs tors. theta energy: -78.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1050.477586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.477586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.477586 (E_RNA) where: Base-Base interactions energy: -715.869 where: short stacking energy: -309.536 Base-Backbone interact. energy: -0.126 local terms energy: -334.482395 where: bonds (distance) C4'-P energy: -67.965 bonds (distance) P-C4' energy: -57.275 flat angles C4'-P-C4' energy: -71.974 flat angles P-C4'-P energy: -47.951 tors. eta vs tors. theta energy: -89.317 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: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -935.307685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.307685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.307685 (E_RNA) where: Base-Base interactions energy: -625.597 where: short stacking energy: -286.677 Base-Backbone interact. energy: -0.269 local terms energy: -309.442064 where: bonds (distance) C4'-P energy: -53.128 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -68.575 flat angles P-C4'-P energy: -41.265 tors. eta vs tors. theta energy: -86.616 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: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -932.934916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.934916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.934916 (E_RNA) where: Base-Base interactions energy: -620.205 where: short stacking energy: -279.729 Base-Backbone interact. energy: -1.451 local terms energy: -311.279084 where: bonds (distance) C4'-P energy: -64.190 bonds (distance) P-C4' energy: -67.777 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -41.958 tors. eta vs tors. theta energy: -71.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -821.802364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.802364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.802364 (E_RNA) where: Base-Base interactions energy: -531.936 where: short stacking energy: -253.884 Base-Backbone interact. energy: 0.417 local terms energy: -290.283651 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -54.140 flat angles C4'-P-C4' energy: -63.815 flat angles P-C4'-P energy: -43.157 tors. eta vs tors. theta energy: -64.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -743.982724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.982724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.982724 (E_RNA) where: Base-Base interactions energy: -472.435 where: short stacking energy: -233.370 Base-Backbone interact. energy: -0.355 local terms energy: -271.192947 where: bonds (distance) C4'-P energy: -48.940 bonds (distance) P-C4' energy: -62.971 flat angles C4'-P-C4' energy: -59.457 flat angles P-C4'-P energy: -37.200 tors. eta vs tors. theta energy: -62.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -570.029050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.029050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.029050 (E_RNA) where: Base-Base interactions energy: -358.227 where: short stacking energy: -176.796 Base-Backbone interact. energy: -0.533 local terms energy: -211.269323 where: bonds (distance) C4'-P energy: -59.553 bonds (distance) P-C4' energy: -29.331 flat angles C4'-P-C4' energy: -57.572 flat angles P-C4'-P energy: -36.085 tors. eta vs tors. theta energy: -28.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -482.461931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.461931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.461931 (E_RNA) where: Base-Base interactions energy: -258.765 where: short stacking energy: -132.883 Base-Backbone interact. energy: -0.655 local terms energy: -223.041699 where: bonds (distance) C4'-P energy: -59.263 bonds (distance) P-C4' energy: -57.358 flat angles C4'-P-C4' energy: -55.010 flat angles P-C4'-P energy: -32.927 tors. eta vs tors. theta energy: -18.483 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: 198 Temperature: 1.300000 Total energy: -414.851362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.851362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.851362 (E_RNA) where: Base-Base interactions energy: -222.784 where: short stacking energy: -102.144 Base-Backbone interact. energy: 0.813 local terms energy: -192.880311 where: bonds (distance) C4'-P energy: -57.928 bonds (distance) P-C4' energy: -61.357 flat angles C4'-P-C4' energy: -43.313 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: 1.466 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: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -274.239465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.239465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.239465 (E_RNA) where: Base-Base interactions energy: -83.154 where: short stacking energy: -72.873 Base-Backbone interact. energy: -1.301 local terms energy: -189.783706 where: bonds (distance) C4'-P energy: -52.433 bonds (distance) P-C4' energy: -60.170 flat angles C4'-P-C4' energy: -51.118 flat angles P-C4'-P energy: -28.625 tors. eta vs tors. theta energy: 2.562 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: 9 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1027.101141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.101141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.101141 (E_RNA) where: Base-Base interactions energy: -696.901 where: short stacking energy: -306.758 Base-Backbone interact. energy: -1.047 local terms energy: -329.153423 where: bonds (distance) C4'-P energy: -67.037 bonds (distance) P-C4' energy: -58.706 flat angles C4'-P-C4' energy: -72.610 flat angles P-C4'-P energy: -55.194 tors. eta vs tors. theta energy: -75.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1026.694843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.694843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.694843 (E_RNA) where: Base-Base interactions energy: -693.403 where: short stacking energy: -306.303 Base-Backbone interact. energy: -2.040 local terms energy: -331.252403 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -67.797 flat angles C4'-P-C4' energy: -69.124 flat angles P-C4'-P energy: -49.250 tors. eta vs tors. theta energy: -81.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -931.937986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.937986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.937986 (E_RNA) where: Base-Base interactions energy: -608.452 where: short stacking energy: -279.947 Base-Backbone interact. energy: -1.044 local terms energy: -322.441788 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -62.385 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -82.745 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: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -889.634804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.634804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.634804 (E_RNA) where: Base-Base interactions energy: -596.517 where: short stacking energy: -266.845 Base-Backbone interact. energy: -1.349 local terms energy: -291.767946 where: bonds (distance) C4'-P energy: -62.861 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -64.808 flat angles P-C4'-P energy: -37.369 tors. eta vs tors. theta energy: -69.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -843.971323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.971323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.971323 (E_RNA) where: Base-Base interactions energy: -558.453 where: short stacking energy: -251.884 Base-Backbone interact. energy: 1.079 local terms energy: -286.596576 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -55.581 flat angles C4'-P-C4' energy: -59.240 flat angles P-C4'-P energy: -38.385 tors. eta vs tors. theta energy: -67.933 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: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -693.586202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.586202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.586202 (E_RNA) where: Base-Base interactions energy: -415.495 where: short stacking energy: -198.245 Base-Backbone interact. energy: -1.157 local terms energy: -276.933714 where: bonds (distance) C4'-P energy: -60.695 bonds (distance) P-C4' energy: -58.963 flat angles C4'-P-C4' energy: -66.823 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -45.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -550.564941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.564941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.564941 (E_RNA) where: Base-Base interactions energy: -337.633 where: short stacking energy: -158.633 Base-Backbone interact. energy: -0.603 local terms energy: -212.328848 where: bonds (distance) C4'-P energy: -53.424 bonds (distance) P-C4' energy: -59.199 flat angles C4'-P-C4' energy: -40.213 flat angles P-C4'-P energy: -32.917 tors. eta vs tors. theta energy: -26.576 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: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -454.152111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.152111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.152111 (E_RNA) where: Base-Base interactions energy: -243.152 where: short stacking energy: -120.814 Base-Backbone interact. energy: -2.589 local terms energy: -208.410535 where: bonds (distance) C4'-P energy: -52.783 bonds (distance) P-C4' energy: -59.384 flat angles C4'-P-C4' energy: -53.952 flat angles P-C4'-P energy: -31.111 tors. eta vs tors. theta energy: -11.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -422.477468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.477468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.477468 (E_RNA) where: Base-Base interactions energy: -242.539 where: short stacking energy: -114.240 Base-Backbone interact. energy: -1.169 local terms energy: -178.769588 where: bonds (distance) C4'-P energy: -36.788 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -47.058 flat angles P-C4'-P energy: -28.097 tors. eta vs tors. theta energy: -5.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -264.994484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.994484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.994484 (E_RNA) where: Base-Base interactions energy: -99.366 where: short stacking energy: -62.014 Base-Backbone interact. energy: -1.804 local terms energy: -163.824314 where: bonds (distance) C4'-P energy: -42.724 bonds (distance) P-C4' energy: -50.037 flat angles C4'-P-C4' energy: -60.009 flat angles P-C4'-P energy: -29.515 tors. eta vs tors. theta energy: 18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1041.206928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.206928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.206928 (E_RNA) where: Base-Base interactions energy: -689.927 where: short stacking energy: -312.576 Base-Backbone interact. energy: -1.771 local terms energy: -349.509042 where: bonds (distance) C4'-P energy: -62.440 bonds (distance) P-C4' energy: -65.923 flat angles C4'-P-C4' energy: -76.498 flat angles P-C4'-P energy: -53.966 tors. eta vs tors. theta energy: -90.683 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: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -989.639981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.639981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.639981 (E_RNA) where: Base-Base interactions energy: -668.110 where: short stacking energy: -280.958 Base-Backbone interact. energy: -1.339 local terms energy: -320.191273 where: bonds (distance) C4'-P energy: -69.392 bonds (distance) P-C4' energy: -67.545 flat angles C4'-P-C4' energy: -74.893 flat angles P-C4'-P energy: -43.494 tors. eta vs tors. theta energy: -64.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -925.727695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.727695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.727695 (E_RNA) where: Base-Base interactions energy: -614.052 where: short stacking energy: -295.748 Base-Backbone interact. energy: 0.672 local terms energy: -312.347983 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -51.401 flat angles C4'-P-C4' energy: -63.012 flat angles P-C4'-P energy: -53.541 tors. eta vs tors. theta energy: -88.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -931.601910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.601910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.601910 (E_RNA) where: Base-Base interactions energy: -634.985 where: short stacking energy: -283.938 Base-Backbone interact. energy: -0.863 local terms energy: -295.753441 where: bonds (distance) C4'-P energy: -57.642 bonds (distance) P-C4' energy: -55.006 flat angles C4'-P-C4' energy: -66.611 flat angles P-C4'-P energy: -38.212 tors. eta vs tors. theta energy: -78.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -837.395042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.395042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.395042 (E_RNA) where: Base-Base interactions energy: -546.921 where: short stacking energy: -239.890 Base-Backbone interact. energy: -0.594 local terms energy: -289.879659 where: bonds (distance) C4'-P energy: -67.834 bonds (distance) P-C4' energy: -66.275 flat angles C4'-P-C4' energy: -51.558 flat angles P-C4'-P energy: -39.584 tors. eta vs tors. theta energy: -64.629 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: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -705.998005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.998005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.998005 (E_RNA) where: Base-Base interactions energy: -433.319 where: short stacking energy: -220.948 Base-Backbone interact. energy: -1.881 local terms energy: -270.798451 where: bonds (distance) C4'-P energy: -53.016 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -58.306 flat angles P-C4'-P energy: -44.083 tors. eta vs tors. theta energy: -50.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -579.715979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.715979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.715979 (E_RNA) where: Base-Base interactions energy: -310.810 where: short stacking energy: -157.962 Base-Backbone interact. energy: -1.492 local terms energy: -267.413276 where: bonds (distance) C4'-P energy: -52.026 bonds (distance) P-C4' energy: -73.007 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -44.295 tors. eta vs tors. theta energy: -35.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -437.276036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.276036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.276036 (E_RNA) where: Base-Base interactions energy: -222.830 where: short stacking energy: -124.561 Base-Backbone interact. energy: -0.305 local terms energy: -214.140826 where: bonds (distance) C4'-P energy: -56.412 bonds (distance) P-C4' energy: -56.463 flat angles C4'-P-C4' energy: -64.685 flat angles P-C4'-P energy: -27.398 tors. eta vs tors. theta energy: -9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -408.897351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.897351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.897351 (E_RNA) where: Base-Base interactions energy: -222.981 where: short stacking energy: -119.176 Base-Backbone interact. energy: -4.011 local terms energy: -181.905592 where: bonds (distance) C4'-P energy: -44.035 bonds (distance) P-C4' energy: -51.208 flat angles C4'-P-C4' energy: -49.872 flat angles P-C4'-P energy: -31.093 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -281.721987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.721987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.721987 (E_RNA) where: Base-Base interactions energy: -111.880 where: short stacking energy: -71.532 Base-Backbone interact. energy: -0.853 local terms energy: -168.989404 where: bonds (distance) C4'-P energy: -55.911 bonds (distance) P-C4' energy: -49.690 flat angles C4'-P-C4' energy: -42.247 flat angles P-C4'-P energy: -29.497 tors. eta vs tors. theta energy: 8.355 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: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1051.277264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.277264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.277264 (E_RNA) where: Base-Base interactions energy: -701.810 where: short stacking energy: -318.212 Base-Backbone interact. energy: -0.787 local terms energy: -348.681013 where: bonds (distance) C4'-P energy: -72.233 bonds (distance) P-C4' energy: -61.911 flat angles C4'-P-C4' energy: -69.533 flat angles P-C4'-P energy: -54.269 tors. eta vs tors. theta energy: -90.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1026.249705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.249705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.249705 (E_RNA) where: Base-Base interactions energy: -703.209 where: short stacking energy: -305.310 Base-Backbone interact. energy: -1.658 local terms energy: -321.382563 where: bonds (distance) C4'-P energy: -59.805 bonds (distance) P-C4' energy: -63.755 flat angles C4'-P-C4' energy: -67.963 flat angles P-C4'-P energy: -51.567 tors. eta vs tors. theta energy: -78.292 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: 201 Temperature: 1.000000 Total energy: -939.366978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.366978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.366978 (E_RNA) where: Base-Base interactions energy: -619.404 where: short stacking energy: -299.677 Base-Backbone interact. energy: -1.355 local terms energy: -318.608228 where: bonds (distance) C4'-P energy: -65.137 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -61.775 flat angles P-C4'-P energy: -49.239 tors. eta vs tors. theta energy: -84.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -913.559844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.559844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.559844 (E_RNA) where: Base-Base interactions energy: -610.631 where: short stacking energy: -264.946 Base-Backbone interact. energy: -2.206 local terms energy: -300.723072 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -69.525 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -69.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -816.661588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.661588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.661588 (E_RNA) where: Base-Base interactions energy: -521.255 where: short stacking energy: -241.957 Base-Backbone interact. energy: -2.040 local terms energy: -293.367217 where: bonds (distance) C4'-P energy: -57.914 bonds (distance) P-C4' energy: -56.980 flat angles C4'-P-C4' energy: -69.612 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -67.069 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: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -686.735811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.735811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.735811 (E_RNA) where: Base-Base interactions energy: -422.481 where: short stacking energy: -211.478 Base-Backbone interact. energy: -1.250 local terms energy: -263.004656 where: bonds (distance) C4'-P energy: -45.498 bonds (distance) P-C4' energy: -61.039 flat angles C4'-P-C4' energy: -57.041 flat angles P-C4'-P energy: -44.232 tors. eta vs tors. theta energy: -55.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -559.660186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.660186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.660186 (E_RNA) where: Base-Base interactions energy: -327.764 where: short stacking energy: -169.255 Base-Backbone interact. energy: -0.346 local terms energy: -231.550217 where: bonds (distance) C4'-P energy: -55.843 bonds (distance) P-C4' energy: -61.079 flat angles C4'-P-C4' energy: -59.426 flat angles P-C4'-P energy: -34.615 tors. eta vs tors. theta energy: -20.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -441.906980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.906980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.906980 (E_RNA) where: Base-Base interactions energy: -250.151 where: short stacking energy: -121.673 Base-Backbone interact. energy: -2.279 local terms energy: -189.476544 where: bonds (distance) C4'-P energy: -45.651 bonds (distance) P-C4' energy: -49.277 flat angles C4'-P-C4' energy: -56.880 flat angles P-C4'-P energy: -28.235 tors. eta vs tors. theta energy: -9.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -422.801293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.801293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.801293 (E_RNA) where: Base-Base interactions energy: -213.537 where: short stacking energy: -135.441 Base-Backbone interact. energy: 1.344 local terms energy: -210.609081 where: bonds (distance) C4'-P energy: -46.151 bonds (distance) P-C4' energy: -51.451 flat angles C4'-P-C4' energy: -53.580 flat angles P-C4'-P energy: -37.216 tors. eta vs tors. theta energy: -22.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -285.734950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.734950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.734950 (E_RNA) where: Base-Base interactions energy: -91.895 where: short stacking energy: -64.679 Base-Backbone interact. energy: -1.192 local terms energy: -192.647075 where: bonds (distance) C4'-P energy: -50.450 bonds (distance) P-C4' energy: -61.225 flat angles C4'-P-C4' energy: -46.387 flat angles P-C4'-P energy: -36.361 tors. eta vs tors. theta energy: 1.775 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: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1057.244969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.244969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.244969 (E_RNA) where: Base-Base interactions energy: -715.839 where: short stacking energy: -321.974 Base-Backbone interact. energy: -0.007 local terms energy: -341.398624 where: bonds (distance) C4'-P energy: -55.838 bonds (distance) P-C4' energy: -72.325 flat angles C4'-P-C4' energy: -74.354 flat angles P-C4'-P energy: -50.952 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: 2, replica: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1003.976848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.976848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.976848 (E_RNA) where: Base-Base interactions energy: -686.941 where: short stacking energy: -298.126 Base-Backbone interact. energy: -2.631 local terms energy: -314.405232 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -63.208 flat angles C4'-P-C4' energy: -67.777 flat angles P-C4'-P energy: -40.583 tors. eta vs tors. theta energy: -78.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -947.693034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.693034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.693034 (E_RNA) where: Base-Base interactions energy: -647.964 where: short stacking energy: -272.573 Base-Backbone interact. energy: -1.722 local terms energy: -298.006666 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -64.616 flat angles C4'-P-C4' energy: -59.192 flat angles P-C4'-P energy: -45.049 tors. eta vs tors. theta energy: -65.482 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: 202 Temperature: 1.050000 Total energy: -907.260043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.260043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.260043 (E_RNA) where: Base-Base interactions energy: -592.012 where: short stacking energy: -281.459 Base-Backbone interact. energy: -1.241 local terms energy: -314.007373 where: bonds (distance) C4'-P energy: -59.497 bonds (distance) P-C4' energy: -64.306 flat angles C4'-P-C4' energy: -59.440 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -81.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -802.874154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.874154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.874154 (E_RNA) where: Base-Base interactions energy: -510.663 where: short stacking energy: -233.086 Base-Backbone interact. energy: -0.340 local terms energy: -291.870443 where: bonds (distance) C4'-P energy: -63.681 bonds (distance) P-C4' energy: -52.643 flat angles C4'-P-C4' energy: -63.909 flat angles P-C4'-P energy: -42.936 tors. eta vs tors. theta energy: -68.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -691.480419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.480419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.480419 (E_RNA) where: Base-Base interactions energy: -443.394 where: short stacking energy: -221.330 Base-Backbone interact. energy: -0.799 local terms energy: -247.287660 where: bonds (distance) C4'-P energy: -49.218 bonds (distance) P-C4' energy: -60.377 flat angles C4'-P-C4' energy: -55.166 flat angles P-C4'-P energy: -31.729 tors. eta vs tors. theta energy: -50.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -584.799230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.799230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.799230 (E_RNA) where: Base-Base interactions energy: -352.279 where: short stacking energy: -194.038 Base-Backbone interact. energy: -1.921 local terms energy: -230.598501 where: bonds (distance) C4'-P energy: -57.906 bonds (distance) P-C4' energy: -65.253 flat angles C4'-P-C4' energy: -47.408 flat angles P-C4'-P energy: -25.267 tors. eta vs tors. theta energy: -34.764 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: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -458.173693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.173693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.173693 (E_RNA) where: Base-Base interactions energy: -241.414 where: short stacking energy: -132.435 Base-Backbone interact. energy: -0.589 local terms energy: -216.170366 where: bonds (distance) C4'-P energy: -51.811 bonds (distance) P-C4' energy: -57.168 flat angles C4'-P-C4' energy: -46.257 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -16.589 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: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -391.232934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.232934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.232934 (E_RNA) where: Base-Base interactions energy: -169.571 where: short stacking energy: -115.687 Base-Backbone interact. energy: 1.455 local terms energy: -223.117836 where: bonds (distance) C4'-P energy: -57.750 bonds (distance) P-C4' energy: -67.490 flat angles C4'-P-C4' energy: -54.860 flat angles P-C4'-P energy: -26.021 tors. eta vs tors. theta energy: -16.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -263.762997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.762997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.762997 (E_RNA) where: Base-Base interactions energy: -114.570 where: short stacking energy: -78.066 Base-Backbone interact. energy: -0.084 local terms energy: -149.109634 where: bonds (distance) C4'-P energy: -55.095 bonds (distance) P-C4' energy: -43.427 flat angles C4'-P-C4' energy: -34.494 flat angles P-C4'-P energy: -31.297 tors. eta vs tors. theta energy: 15.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1057.984136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.984136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.984136 (E_RNA) where: Base-Base interactions energy: -724.802 where: short stacking energy: -315.428 Base-Backbone interact. energy: -1.756 local terms energy: -331.426882 where: bonds (distance) C4'-P energy: -63.537 bonds (distance) P-C4' energy: -62.923 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -87.828 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: 2, replica: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1021.893641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.893641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.893641 (E_RNA) where: Base-Base interactions energy: -687.146 where: short stacking energy: -298.472 Base-Backbone interact. energy: 0.072 local terms energy: -334.819612 where: bonds (distance) C4'-P energy: -53.828 bonds (distance) P-C4' energy: -66.951 flat angles C4'-P-C4' energy: -70.631 flat angles P-C4'-P energy: -52.900 tors. eta vs tors. theta energy: -90.510 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -975.498277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.498277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.498277 (E_RNA) where: Base-Base interactions energy: -646.547 where: short stacking energy: -290.755 Base-Backbone interact. energy: -2.270 local terms energy: -326.681573 where: bonds (distance) C4'-P energy: -60.899 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -71.639 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -78.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -903.320763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.320763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.320763 (E_RNA) where: Base-Base interactions energy: -589.755 where: short stacking energy: -267.943 Base-Backbone interact. energy: -0.196 local terms energy: -313.368878 where: bonds (distance) C4'-P energy: -59.982 bonds (distance) P-C4' energy: -62.076 flat angles C4'-P-C4' energy: -60.730 flat angles P-C4'-P energy: -45.866 tors. eta vs tors. theta energy: -84.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -797.154524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.154524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.154524 (E_RNA) where: Base-Base interactions energy: -526.075 where: short stacking energy: -249.325 Base-Backbone interact. energy: -0.518 local terms energy: -270.561845 where: bonds (distance) C4'-P energy: -43.235 bonds (distance) P-C4' energy: -52.870 flat angles C4'-P-C4' energy: -63.015 flat angles P-C4'-P energy: -38.260 tors. eta vs tors. theta energy: -73.181 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: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -726.634542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.634542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.634542 (E_RNA) where: Base-Base interactions energy: -466.549 where: short stacking energy: -225.150 Base-Backbone interact. energy: 1.440 local terms energy: -261.525301 where: bonds (distance) C4'-P energy: -51.067 bonds (distance) P-C4' energy: -60.741 flat angles C4'-P-C4' energy: -58.792 flat angles P-C4'-P energy: -36.614 tors. eta vs tors. theta energy: -54.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -585.331975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.331975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.331975 (E_RNA) where: Base-Base interactions energy: -328.588 where: short stacking energy: -155.911 Base-Backbone interact. energy: -0.799 local terms energy: -255.945232 where: bonds (distance) C4'-P energy: -63.184 bonds (distance) P-C4' energy: -52.766 flat angles C4'-P-C4' energy: -63.982 flat angles P-C4'-P energy: -42.036 tors. eta vs tors. theta energy: -33.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -435.140325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.140325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.140325 (E_RNA) where: Base-Base interactions energy: -246.739 where: short stacking energy: -131.726 Base-Backbone interact. energy: -0.854 local terms energy: -187.547329 where: bonds (distance) C4'-P energy: -54.984 bonds (distance) P-C4' energy: -54.673 flat angles C4'-P-C4' energy: -35.850 flat angles P-C4'-P energy: -27.177 tors. eta vs tors. theta energy: -14.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -387.124485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.124485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.124485 (E_RNA) where: Base-Base interactions energy: -197.136 where: short stacking energy: -107.211 Base-Backbone interact. energy: -1.349 local terms energy: -188.639375 where: bonds (distance) C4'-P energy: -60.002 bonds (distance) P-C4' energy: -48.754 flat angles C4'-P-C4' energy: -51.508 flat angles P-C4'-P energy: -17.937 tors. eta vs tors. theta energy: -10.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -271.309039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.309039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.309039 (E_RNA) where: Base-Base interactions energy: -80.536 where: short stacking energy: -73.489 Base-Backbone interact. energy: -1.158 local terms energy: -189.615210 where: bonds (distance) C4'-P energy: -55.570 bonds (distance) P-C4' energy: -51.631 flat angles C4'-P-C4' energy: -50.528 flat angles P-C4'-P energy: -31.816 tors. eta vs tors. theta energy: -0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1046.229081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.229081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.229081 (E_RNA) where: Base-Base interactions energy: -719.272 where: short stacking energy: -316.827 Base-Backbone interact. energy: 0.550 local terms energy: -327.507463 where: bonds (distance) C4'-P energy: -59.965 bonds (distance) P-C4' energy: -56.805 flat angles C4'-P-C4' energy: -70.149 flat angles P-C4'-P energy: -50.302 tors. eta vs tors. theta energy: -90.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1041.582252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.582252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.582252 (E_RNA) where: Base-Base interactions energy: -687.997 where: short stacking energy: -315.975 Base-Backbone interact. energy: -1.186 local terms energy: -352.399186 where: bonds (distance) C4'-P energy: -68.897 bonds (distance) P-C4' energy: -68.995 flat angles C4'-P-C4' energy: -71.508 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -91.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -961.668010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.668010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.668010 (E_RNA) where: Base-Base interactions energy: -649.221 where: short stacking energy: -300.781 Base-Backbone interact. energy: -1.574 local terms energy: -310.873948 where: bonds (distance) C4'-P energy: -63.921 bonds (distance) P-C4' energy: -63.311 flat angles C4'-P-C4' energy: -70.504 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -69.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -893.039935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.039935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.039935 (E_RNA) where: Base-Base interactions energy: -582.842 where: short stacking energy: -290.266 Base-Backbone interact. energy: 2.249 local terms energy: -312.446604 where: bonds (distance) C4'-P energy: -62.909 bonds (distance) P-C4' energy: -61.742 flat angles C4'-P-C4' energy: -66.639 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -81.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -828.118275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.118275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.118275 (E_RNA) where: Base-Base interactions energy: -541.785 where: short stacking energy: -258.062 Base-Backbone interact. energy: 0.222 local terms energy: -286.554628 where: bonds (distance) C4'-P energy: -55.411 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -62.402 flat angles P-C4'-P energy: -41.664 tors. eta vs tors. theta energy: -70.199 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: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -719.637043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.637043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.637043 (E_RNA) where: Base-Base interactions energy: -445.737 where: short stacking energy: -219.516 Base-Backbone interact. energy: 0.067 local terms energy: -273.966733 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -66.230 flat angles P-C4'-P energy: -29.759 tors. eta vs tors. theta energy: -52.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -567.642574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.642574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.642574 (E_RNA) where: Base-Base interactions energy: -314.652 where: short stacking energy: -162.596 Base-Backbone interact. energy: -0.907 local terms energy: -252.084093 where: bonds (distance) C4'-P energy: -52.579 bonds (distance) P-C4' energy: -76.346 flat angles C4'-P-C4' energy: -47.341 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -33.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -433.362294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.362294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.362294 (E_RNA) where: Base-Base interactions energy: -219.794 where: short stacking energy: -108.476 Base-Backbone interact. energy: -1.614 local terms energy: -211.954396 where: bonds (distance) C4'-P energy: -51.182 bonds (distance) P-C4' energy: -59.266 flat angles C4'-P-C4' energy: -64.351 flat angles P-C4'-P energy: -32.556 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -385.485418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.485418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.485418 (E_RNA) where: Base-Base interactions energy: -167.712 where: short stacking energy: -100.894 Base-Backbone interact. energy: 6.041 local terms energy: -223.814649 where: bonds (distance) C4'-P energy: -55.829 bonds (distance) P-C4' energy: -58.125 flat angles C4'-P-C4' energy: -57.352 flat angles P-C4'-P energy: -35.375 tors. eta vs tors. theta energy: -17.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -269.968473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.968473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.968473 (E_RNA) where: Base-Base interactions energy: -100.860 where: short stacking energy: -82.406 Base-Backbone interact. energy: 1.200 local terms energy: -170.308303 where: bonds (distance) C4'-P energy: -49.274 bonds (distance) P-C4' energy: -57.973 flat angles C4'-P-C4' energy: -30.059 flat angles P-C4'-P energy: -30.862 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1072.939613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.939613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.939613 (E_RNA) where: Base-Base interactions energy: -735.966 where: short stacking energy: -324.335 Base-Backbone interact. energy: -1.259 local terms energy: -335.714983 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -70.949 flat angles C4'-P-C4' energy: -71.264 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -84.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1032.474963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.474963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.474963 (E_RNA) where: Base-Base interactions energy: -693.790 where: short stacking energy: -317.268 Base-Backbone interact. energy: -0.454 local terms energy: -338.231023 where: bonds (distance) C4'-P energy: -61.836 bonds (distance) P-C4' energy: -65.971 flat angles C4'-P-C4' energy: -71.776 flat angles P-C4'-P energy: -53.397 tors. eta vs tors. theta energy: -85.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -948.503934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.503934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.503934 (E_RNA) where: Base-Base interactions energy: -640.183 where: short stacking energy: -276.801 Base-Backbone interact. energy: -3.730 local terms energy: -304.590832 where: bonds (distance) C4'-P energy: -63.229 bonds (distance) P-C4' energy: -64.569 flat angles C4'-P-C4' energy: -59.990 flat angles P-C4'-P energy: -43.167 tors. eta vs tors. theta energy: -73.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -894.644602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.644602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.644602 (E_RNA) where: Base-Base interactions energy: -579.234 where: short stacking energy: -261.969 Base-Backbone interact. energy: -0.073 local terms energy: -315.337134 where: bonds (distance) C4'-P energy: -69.131 bonds (distance) P-C4' energy: -52.840 flat angles C4'-P-C4' energy: -59.734 flat angles P-C4'-P energy: -51.922 tors. eta vs tors. theta energy: -81.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -847.239863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.239863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.239863 (E_RNA) where: Base-Base interactions energy: -555.764 where: short stacking energy: -254.287 Base-Backbone interact. energy: 0.241 local terms energy: -291.717156 where: bonds (distance) C4'-P energy: -56.040 bonds (distance) P-C4' energy: -53.939 flat angles C4'-P-C4' energy: -72.733 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -61.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -708.878799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.878799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.878799 (E_RNA) where: Base-Base interactions energy: -431.605 where: short stacking energy: -207.658 Base-Backbone interact. energy: -0.748 local terms energy: -276.525286 where: bonds (distance) C4'-P energy: -57.557 bonds (distance) P-C4' energy: -66.643 flat angles C4'-P-C4' energy: -62.967 flat angles P-C4'-P energy: -40.664 tors. eta vs tors. theta energy: -48.695 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: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -581.906244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.906244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.906244 (E_RNA) where: Base-Base interactions energy: -348.541 where: short stacking energy: -171.162 Base-Backbone interact. energy: -0.969 local terms energy: -232.396041 where: bonds (distance) C4'-P energy: -56.534 bonds (distance) P-C4' energy: -52.752 flat angles C4'-P-C4' energy: -63.636 flat angles P-C4'-P energy: -27.412 tors. eta vs tors. theta energy: -32.061 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: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -466.324612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.324612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.324612 (E_RNA) where: Base-Base interactions energy: -254.663 where: short stacking energy: -148.585 Base-Backbone interact. energy: -2.225 local terms energy: -209.435763 where: bonds (distance) C4'-P energy: -52.124 bonds (distance) P-C4' energy: -53.130 flat angles C4'-P-C4' energy: -56.631 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -12.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -419.774959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.774959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.774959 (E_RNA) where: Base-Base interactions energy: -208.157 where: short stacking energy: -119.978 Base-Backbone interact. energy: -3.253 local terms energy: -208.365481 where: bonds (distance) C4'-P energy: -46.807 bonds (distance) P-C4' energy: -72.799 flat angles C4'-P-C4' energy: -49.976 flat angles P-C4'-P energy: -34.690 tors. eta vs tors. theta energy: -4.093 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: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -290.431497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.431497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.431497 (E_RNA) where: Base-Base interactions energy: -130.353 where: short stacking energy: -97.921 Base-Backbone interact. energy: -1.014 local terms energy: -159.064746 where: bonds (distance) C4'-P energy: -41.545 bonds (distance) P-C4' energy: -59.548 flat angles C4'-P-C4' energy: -40.131 flat angles P-C4'-P energy: -27.202 tors. eta vs tors. theta energy: 9.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1073.910689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.910689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.910689 (E_RNA) where: Base-Base interactions energy: -730.600 where: short stacking energy: -316.160 Base-Backbone interact. energy: -1.922 local terms energy: -341.388176 where: bonds (distance) C4'-P energy: -63.298 bonds (distance) P-C4' energy: -62.254 flat angles C4'-P-C4' energy: -74.480 flat angles P-C4'-P energy: -51.844 tors. eta vs tors. theta energy: -89.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1004.987904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.987904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.987904 (E_RNA) where: Base-Base interactions energy: -670.807 where: short stacking energy: -287.880 Base-Backbone interact. energy: -0.972 local terms energy: -333.208856 where: bonds (distance) C4'-P energy: -64.012 bonds (distance) P-C4' energy: -69.890 flat angles C4'-P-C4' energy: -71.883 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: -78.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -945.347451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.347451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.347451 (E_RNA) where: Base-Base interactions energy: -629.633 where: short stacking energy: -284.579 Base-Backbone interact. energy: -1.702 local terms energy: -314.011697 where: bonds (distance) C4'-P energy: -50.295 bonds (distance) P-C4' energy: -63.813 flat angles C4'-P-C4' energy: -70.951 flat angles P-C4'-P energy: -45.216 tors. eta vs tors. theta energy: -83.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -898.926108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.926108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.926108 (E_RNA) where: Base-Base interactions energy: -595.959 where: short stacking energy: -267.713 Base-Backbone interact. energy: -0.619 local terms energy: -302.347537 where: bonds (distance) C4'-P energy: -50.949 bonds (distance) P-C4' energy: -63.413 flat angles C4'-P-C4' energy: -71.489 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -70.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -822.833869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.833869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.833869 (E_RNA) where: Base-Base interactions energy: -547.307 where: short stacking energy: -241.417 Base-Backbone interact. energy: -0.317 local terms energy: -275.208996 where: bonds (distance) C4'-P energy: -52.742 bonds (distance) P-C4' energy: -46.749 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -40.725 tors. eta vs tors. theta energy: -69.339 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: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -730.006107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.006107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.006107 (E_RNA) where: Base-Base interactions energy: -464.719 where: short stacking energy: -247.668 Base-Backbone interact. energy: -0.389 local terms energy: -264.898280 where: bonds (distance) C4'-P energy: -46.435 bonds (distance) P-C4' energy: -57.290 flat angles C4'-P-C4' energy: -52.376 flat angles P-C4'-P energy: -37.162 tors. eta vs tors. theta energy: -71.636 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: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -571.274688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.274688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.274688 (E_RNA) where: Base-Base interactions energy: -349.254 where: short stacking energy: -198.573 Base-Backbone interact. energy: -0.728 local terms energy: -221.292691 where: bonds (distance) C4'-P energy: -47.039 bonds (distance) P-C4' energy: -51.675 flat angles C4'-P-C4' energy: -47.401 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -38.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -444.515634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.515634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.515634 (E_RNA) where: Base-Base interactions energy: -250.786 where: short stacking energy: -131.116 Base-Backbone interact. energy: -0.150 local terms energy: -193.579435 where: bonds (distance) C4'-P energy: -40.177 bonds (distance) P-C4' energy: -56.513 flat angles C4'-P-C4' energy: -62.861 flat angles P-C4'-P energy: -22.411 tors. eta vs tors. theta energy: -11.618 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: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -432.651328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.651328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.651328 (E_RNA) where: Base-Base interactions energy: -230.245 where: short stacking energy: -123.598 Base-Backbone interact. energy: -0.991 local terms energy: -201.415864 where: bonds (distance) C4'-P energy: -38.990 bonds (distance) P-C4' energy: -56.361 flat angles C4'-P-C4' energy: -57.616 flat angles P-C4'-P energy: -37.992 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -281.248708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.248708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.248708 (E_RNA) where: Base-Base interactions energy: -100.595 where: short stacking energy: -69.917 Base-Backbone interact. energy: -1.899 local terms energy: -178.754056 where: bonds (distance) C4'-P energy: -50.746 bonds (distance) P-C4' energy: -51.711 flat angles C4'-P-C4' energy: -42.545 flat angles P-C4'-P energy: -38.653 tors. eta vs tors. theta energy: 4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1066.082657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.082657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.082657 (E_RNA) where: Base-Base interactions energy: -735.332 where: short stacking energy: -329.429 Base-Backbone interact. energy: -1.108 local terms energy: -329.642051 where: bonds (distance) C4'-P energy: -58.776 bonds (distance) P-C4' energy: -62.303 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -52.257 tors. eta vs tors. theta energy: -92.178 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: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1018.364045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.364045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.364045 (E_RNA) where: Base-Base interactions energy: -703.679 where: short stacking energy: -304.988 Base-Backbone interact. energy: -1.219 local terms energy: -313.466222 where: bonds (distance) C4'-P energy: -58.277 bonds (distance) P-C4' energy: -60.882 flat angles C4'-P-C4' energy: -71.781 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -82.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -937.977800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.977800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.977800 (E_RNA) where: Base-Base interactions energy: -629.320 where: short stacking energy: -267.884 Base-Backbone interact. energy: -1.513 local terms energy: -307.144552 where: bonds (distance) C4'-P energy: -49.668 bonds (distance) P-C4' energy: -63.338 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -36.781 tors. eta vs tors. theta energy: -91.942 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: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -870.975337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.975337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.975337 (E_RNA) where: Base-Base interactions energy: -554.536 where: short stacking energy: -257.673 Base-Backbone interact. energy: -0.238 local terms energy: -316.201245 where: bonds (distance) C4'-P energy: -59.124 bonds (distance) P-C4' energy: -56.035 flat angles C4'-P-C4' energy: -72.125 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -78.023 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: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -824.252672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.252672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.252672 (E_RNA) where: Base-Base interactions energy: -525.351 where: short stacking energy: -236.704 Base-Backbone interact. energy: -0.662 local terms energy: -298.239583 where: bonds (distance) C4'-P energy: -45.691 bonds (distance) P-C4' energy: -64.749 flat angles C4'-P-C4' energy: -69.079 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: -68.656 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: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -728.305342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.305342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.305342 (E_RNA) where: Base-Base interactions energy: -470.777 where: short stacking energy: -231.072 Base-Backbone interact. energy: -1.495 local terms energy: -256.033814 where: bonds (distance) C4'-P energy: -45.330 bonds (distance) P-C4' energy: -62.233 flat angles C4'-P-C4' energy: -53.630 flat angles P-C4'-P energy: -36.529 tors. eta vs tors. theta energy: -58.313 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: 207 Temperature: 1.200000 Total energy: -606.395799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.395799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.395799 (E_RNA) where: Base-Base interactions energy: -338.867 where: short stacking energy: -176.123 Base-Backbone interact. energy: -1.810 local terms energy: -265.718494 where: bonds (distance) C4'-P energy: -58.552 bonds (distance) P-C4' energy: -69.681 flat angles C4'-P-C4' energy: -62.302 flat angles P-C4'-P energy: -27.723 tors. eta vs tors. theta energy: -47.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -410.729338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.729338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.729338 (E_RNA) where: Base-Base interactions energy: -203.544 where: short stacking energy: -123.923 Base-Backbone interact. energy: -0.978 local terms energy: -206.207185 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -60.303 flat angles C4'-P-C4' energy: -41.258 flat angles P-C4'-P energy: -33.169 tors. eta vs tors. theta energy: -10.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -423.604336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.604336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.604336 (E_RNA) where: Base-Base interactions energy: -226.917 where: short stacking energy: -109.460 Base-Backbone interact. energy: 0.279 local terms energy: -196.966476 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -42.850 flat angles C4'-P-C4' energy: -49.403 flat angles P-C4'-P energy: -29.701 tors. eta vs tors. theta energy: -18.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -275.959701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.959701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.959701 (E_RNA) where: Base-Base interactions energy: -99.821 where: short stacking energy: -73.417 Base-Backbone interact. energy: -0.081 local terms energy: -176.057924 where: bonds (distance) C4'-P energy: -56.554 bonds (distance) P-C4' energy: -48.872 flat angles C4'-P-C4' energy: -48.369 flat angles P-C4'-P energy: -23.088 tors. eta vs tors. theta energy: 0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1069.889877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.889877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.889877 (E_RNA) where: Base-Base interactions energy: -728.016 where: short stacking energy: -314.476 Base-Backbone interact. energy: -1.640 local terms energy: -340.234093 where: bonds (distance) C4'-P energy: -69.924 bonds (distance) P-C4' energy: -65.649 flat angles C4'-P-C4' energy: -73.905 flat angles P-C4'-P energy: -44.175 tors. eta vs tors. theta energy: -86.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1014.877234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.877234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.877234 (E_RNA) where: Base-Base interactions energy: -693.624 where: short stacking energy: -285.714 Base-Backbone interact. energy: -1.153 local terms energy: -320.100783 where: bonds (distance) C4'-P energy: -54.420 bonds (distance) P-C4' energy: -70.696 flat angles C4'-P-C4' energy: -67.369 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -78.655 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: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -912.654315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.654315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.654315 (E_RNA) where: Base-Base interactions energy: -610.239 where: short stacking energy: -257.366 Base-Backbone interact. energy: -0.414 local terms energy: -302.001836 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -47.751 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -51.349 tors. eta vs tors. theta energy: -74.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -890.206574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.206574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.206574 (E_RNA) where: Base-Base interactions energy: -584.686 where: short stacking energy: -269.929 Base-Backbone interact. energy: 0.742 local terms energy: -306.262146 where: bonds (distance) C4'-P energy: -66.656 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -65.744 flat angles P-C4'-P energy: -41.555 tors. eta vs tors. theta energy: -72.309 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: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -837.038410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.038410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.038410 (E_RNA) where: Base-Base interactions energy: -550.295 where: short stacking energy: -246.131 Base-Backbone interact. energy: -1.545 local terms energy: -285.198581 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -59.683 flat angles P-C4'-P energy: -43.810 tors. eta vs tors. theta energy: -62.378 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: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -730.840622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.840622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.840622 (E_RNA) where: Base-Base interactions energy: -462.780 where: short stacking energy: -218.765 Base-Backbone interact. energy: -1.211 local terms energy: -266.848944 where: bonds (distance) C4'-P energy: -55.794 bonds (distance) P-C4' energy: -51.469 flat angles C4'-P-C4' energy: -69.291 flat angles P-C4'-P energy: -35.374 tors. eta vs tors. theta energy: -54.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -587.146223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.146223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.146223 (E_RNA) where: Base-Base interactions energy: -341.902 where: short stacking energy: -165.710 Base-Backbone interact. energy: 0.853 local terms energy: -246.096755 where: bonds (distance) C4'-P energy: -40.660 bonds (distance) P-C4' energy: -71.286 flat angles C4'-P-C4' energy: -63.632 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -36.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -429.656704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.656704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.656704 (E_RNA) where: Base-Base interactions energy: -210.727 where: short stacking energy: -117.110 Base-Backbone interact. energy: -1.433 local terms energy: -217.496958 where: bonds (distance) C4'-P energy: -58.293 bonds (distance) P-C4' energy: -60.192 flat angles C4'-P-C4' energy: -46.860 flat angles P-C4'-P energy: -37.251 tors. eta vs tors. theta energy: -14.901 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: 208 Temperature: 1.300000 Total energy: -379.845666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.845666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.845666 (E_RNA) where: Base-Base interactions energy: -209.556 where: short stacking energy: -108.871 Base-Backbone interact. energy: -1.152 local terms energy: -169.137772 where: bonds (distance) C4'-P energy: -51.101 bonds (distance) P-C4' energy: -52.623 flat angles C4'-P-C4' energy: -41.891 flat angles P-C4'-P energy: -19.227 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -285.022327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.022327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.022327 (E_RNA) where: Base-Base interactions energy: -122.751 where: short stacking energy: -86.794 Base-Backbone interact. energy: 1.961 local terms energy: -164.232293 where: bonds (distance) C4'-P energy: -50.541 bonds (distance) P-C4' energy: -54.034 flat angles C4'-P-C4' energy: -54.025 flat angles P-C4'-P energy: -25.104 tors. eta vs tors. theta energy: 19.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1063.258980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.258980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.258980 (E_RNA) where: Base-Base interactions energy: -733.960 where: short stacking energy: -316.387 Base-Backbone interact. energy: -1.524 local terms energy: -327.774347 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -48.560 tors. eta vs tors. theta energy: -87.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1019.287449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.287449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.287449 (E_RNA) where: Base-Base interactions energy: -683.269 where: short stacking energy: -304.516 Base-Backbone interact. energy: -1.557 local terms energy: -334.461442 where: bonds (distance) C4'-P energy: -59.662 bonds (distance) P-C4' energy: -66.974 flat angles C4'-P-C4' energy: -68.710 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -87.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -955.057814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.057814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.057814 (E_RNA) where: Base-Base interactions energy: -644.667 where: short stacking energy: -291.359 Base-Backbone interact. energy: -1.316 local terms energy: -309.074564 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -56.044 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -49.723 tors. eta vs tors. theta energy: -83.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -903.366255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.366255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.366255 (E_RNA) where: Base-Base interactions energy: -594.551 where: short stacking energy: -273.647 Base-Backbone interact. energy: -0.467 local terms energy: -308.347989 where: bonds (distance) C4'-P energy: -63.475 bonds (distance) P-C4' energy: -56.974 flat angles C4'-P-C4' energy: -66.833 flat angles P-C4'-P energy: -39.958 tors. eta vs tors. theta energy: -81.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -857.503094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.503094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.503094 (E_RNA) where: Base-Base interactions energy: -560.751 where: short stacking energy: -259.974 Base-Backbone interact. energy: 2.937 local terms energy: -299.688937 where: bonds (distance) C4'-P energy: -59.494 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -62.099 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: -75.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -719.652283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.652283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.652283 (E_RNA) where: Base-Base interactions energy: -456.420 where: short stacking energy: -216.841 Base-Backbone interact. energy: -0.404 local terms energy: -262.828158 where: bonds (distance) C4'-P energy: -48.347 bonds (distance) P-C4' energy: -58.455 flat angles C4'-P-C4' energy: -62.649 flat angles P-C4'-P energy: -36.024 tors. eta vs tors. theta energy: -57.353 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: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -598.934306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.934306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.934306 (E_RNA) where: Base-Base interactions energy: -353.634 where: short stacking energy: -172.520 Base-Backbone interact. energy: 4.706 local terms energy: -250.006387 where: bonds (distance) C4'-P energy: -49.297 bonds (distance) P-C4' energy: -66.463 flat angles C4'-P-C4' energy: -61.078 flat angles P-C4'-P energy: -33.120 tors. eta vs tors. theta energy: -40.048 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: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -425.035594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.035594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.035594 (E_RNA) where: Base-Base interactions energy: -217.331 where: short stacking energy: -122.592 Base-Backbone interact. energy: -1.407 local terms energy: -206.298187 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -56.446 flat angles C4'-P-C4' energy: -54.085 flat angles P-C4'-P energy: -34.443 tors. eta vs tors. theta energy: -1.674 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: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -384.248231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.248231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.248231 (E_RNA) where: Base-Base interactions energy: -178.605 where: short stacking energy: -113.529 Base-Backbone interact. energy: -0.208 local terms energy: -205.434889 where: bonds (distance) C4'-P energy: -60.366 bonds (distance) P-C4' energy: -53.939 flat angles C4'-P-C4' energy: -45.913 flat angles P-C4'-P energy: -34.384 tors. eta vs tors. theta energy: -10.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -275.185652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.185652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.185652 (E_RNA) where: Base-Base interactions energy: -110.484 where: short stacking energy: -72.827 Base-Backbone interact. energy: -0.582 local terms energy: -164.119330 where: bonds (distance) C4'-P energy: -53.985 bonds (distance) P-C4' energy: -59.260 flat angles C4'-P-C4' energy: -40.054 flat angles P-C4'-P energy: -17.401 tors. eta vs tors. theta energy: 6.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1066.193407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.193407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.193407 (E_RNA) where: Base-Base interactions energy: -741.621 where: short stacking energy: -329.835 Base-Backbone interact. energy: -1.622 local terms energy: -322.950902 where: bonds (distance) C4'-P energy: -67.280 bonds (distance) P-C4' energy: -56.583 flat angles C4'-P-C4' energy: -69.750 flat angles P-C4'-P energy: -44.032 tors. eta vs tors. theta energy: -85.305 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: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1019.264974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.264974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.264974 (E_RNA) where: Base-Base interactions energy: -673.694 where: short stacking energy: -282.546 Base-Backbone interact. energy: -1.273 local terms energy: -344.297454 where: bonds (distance) C4'-P energy: -65.810 bonds (distance) P-C4' energy: -73.220 flat angles C4'-P-C4' energy: -68.548 flat angles P-C4'-P energy: -54.250 tors. eta vs tors. theta energy: -82.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -958.087433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.087433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.087433 (E_RNA) where: Base-Base interactions energy: -647.075 where: short stacking energy: -286.942 Base-Backbone interact. energy: 2.659 local terms energy: -313.671989 where: bonds (distance) C4'-P energy: -65.986 bonds (distance) P-C4' energy: -58.356 flat angles C4'-P-C4' energy: -66.139 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: -83.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -906.099283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.099283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.099283 (E_RNA) where: Base-Base interactions energy: -599.363 where: short stacking energy: -285.137 Base-Backbone interact. energy: -0.770 local terms energy: -305.966210 where: bonds (distance) C4'-P energy: -48.011 bonds (distance) P-C4' energy: -67.779 flat angles C4'-P-C4' energy: -65.338 flat angles P-C4'-P energy: -35.103 tors. eta vs tors. theta energy: -89.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -858.328103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.328103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.328103 (E_RNA) where: Base-Base interactions energy: -568.971 where: short stacking energy: -276.089 Base-Backbone interact. energy: -1.200 local terms energy: -288.156801 where: bonds (distance) C4'-P energy: -59.999 bonds (distance) P-C4' energy: -55.312 flat angles C4'-P-C4' energy: -58.935 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -65.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -744.792281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.792281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.792281 (E_RNA) where: Base-Base interactions energy: -475.173 where: short stacking energy: -221.712 Base-Backbone interact. energy: 1.934 local terms energy: -271.552938 where: bonds (distance) C4'-P energy: -53.708 bonds (distance) P-C4' energy: -64.294 flat angles C4'-P-C4' energy: -54.064 flat angles P-C4'-P energy: -38.275 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: 210 Temperature: 1.200000 Total energy: -596.718380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.718380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.718380 (E_RNA) where: Base-Base interactions energy: -362.615 where: short stacking energy: -177.975 Base-Backbone interact. energy: -3.848 local terms energy: -230.255754 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -59.843 flat angles C4'-P-C4' energy: -53.212 flat angles P-C4'-P energy: -29.330 tors. eta vs tors. theta energy: -32.931 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: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -422.661356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.661356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.661356 (E_RNA) where: Base-Base interactions energy: -243.670 where: short stacking energy: -125.163 Base-Backbone interact. energy: -0.515 local terms energy: -178.476827 where: bonds (distance) C4'-P energy: -46.691 bonds (distance) P-C4' energy: -56.955 flat angles C4'-P-C4' energy: -39.708 flat angles P-C4'-P energy: -38.277 tors. eta vs tors. theta energy: 3.155 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: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -410.946207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.946207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.946207 (E_RNA) where: Base-Base interactions energy: -208.330 where: short stacking energy: -125.205 Base-Backbone interact. energy: 0.618 local terms energy: -203.234462 where: bonds (distance) C4'-P energy: -49.431 bonds (distance) P-C4' energy: -58.288 flat angles C4'-P-C4' energy: -51.562 flat angles P-C4'-P energy: -28.640 tors. eta vs tors. theta energy: -15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -258.680344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.680344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.680344 (E_RNA) where: Base-Base interactions energy: -106.373 where: short stacking energy: -73.629 Base-Backbone interact. energy: -2.029 local terms energy: -150.278443 where: bonds (distance) C4'-P energy: -48.742 bonds (distance) P-C4' energy: -47.394 flat angles C4'-P-C4' energy: -42.826 flat angles P-C4'-P energy: -11.297 tors. eta vs tors. theta energy: -0.019 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: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1076.058404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.058404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.058404 (E_RNA) where: Base-Base interactions energy: -723.679 where: short stacking energy: -314.335 Base-Backbone interact. energy: 0.698 local terms energy: -353.077041 where: bonds (distance) C4'-P energy: -66.796 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -53.632 tors. eta vs tors. theta energy: -90.146 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: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1031.691927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.691927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.691927 (E_RNA) where: Base-Base interactions energy: -700.295 where: short stacking energy: -297.985 Base-Backbone interact. energy: -2.023 local terms energy: -329.373261 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -59.005 flat angles C4'-P-C4' energy: -69.362 flat angles P-C4'-P energy: -51.663 tors. eta vs tors. theta energy: -79.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -969.289288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.289288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.289288 (E_RNA) where: Base-Base interactions energy: -643.853 where: short stacking energy: -289.136 Base-Backbone interact. energy: 0.010 local terms energy: -325.446324 where: bonds (distance) C4'-P energy: -60.620 bonds (distance) P-C4' energy: -64.655 flat angles C4'-P-C4' energy: -68.359 flat angles P-C4'-P energy: -54.440 tors. eta vs tors. theta energy: -77.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -945.509475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.509475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.509475 (E_RNA) where: Base-Base interactions energy: -623.963 where: short stacking energy: -281.259 Base-Backbone interact. energy: -2.018 local terms energy: -319.528874 where: bonds (distance) C4'-P energy: -57.484 bonds (distance) P-C4' energy: -66.612 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -84.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -866.950971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.950971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.950971 (E_RNA) where: Base-Base interactions energy: -561.874 where: short stacking energy: -267.500 Base-Backbone interact. energy: 0.419 local terms energy: -305.496398 where: bonds (distance) C4'-P energy: -55.084 bonds (distance) P-C4' energy: -60.172 flat angles C4'-P-C4' energy: -67.055 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: -77.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -675.105979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.105979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.105979 (E_RNA) where: Base-Base interactions energy: -419.365 where: short stacking energy: -192.459 Base-Backbone interact. energy: -1.835 local terms energy: -253.905850 where: bonds (distance) C4'-P energy: -49.669 bonds (distance) P-C4' energy: -53.644 flat angles C4'-P-C4' energy: -60.292 flat angles P-C4'-P energy: -36.986 tors. eta vs tors. theta energy: -53.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -570.380733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.380733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.380733 (E_RNA) where: Base-Base interactions energy: -323.889 where: short stacking energy: -157.340 Base-Backbone interact. energy: 4.808 local terms energy: -251.299960 where: bonds (distance) C4'-P energy: -49.469 bonds (distance) P-C4' energy: -57.685 flat angles C4'-P-C4' energy: -52.765 flat angles P-C4'-P energy: -54.802 tors. eta vs tors. theta energy: -36.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -417.748927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.748927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.748927 (E_RNA) where: Base-Base interactions energy: -216.843 where: short stacking energy: -132.681 Base-Backbone interact. energy: 1.382 local terms energy: -202.287810 where: bonds (distance) C4'-P energy: -51.475 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -46.946 flat angles P-C4'-P energy: -26.539 tors. eta vs tors. theta energy: -16.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -448.099048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.099048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.099048 (E_RNA) where: Base-Base interactions energy: -261.463 where: short stacking energy: -116.033 Base-Backbone interact. energy: 1.671 local terms energy: -188.306961 where: bonds (distance) C4'-P energy: -44.512 bonds (distance) P-C4' energy: -50.535 flat angles C4'-P-C4' energy: -47.327 flat angles P-C4'-P energy: -36.770 tors. eta vs tors. theta energy: -9.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -275.571983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.571983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.571983 (E_RNA) where: Base-Base interactions energy: -92.671 where: short stacking energy: -76.051 Base-Backbone interact. energy: 0.833 local terms energy: -183.733340 where: bonds (distance) C4'-P energy: -50.713 bonds (distance) P-C4' energy: -54.849 flat angles C4'-P-C4' energy: -50.885 flat angles P-C4'-P energy: -28.378 tors. eta vs tors. theta energy: 1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1065.052222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.052222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.052222 (E_RNA) where: Base-Base interactions energy: -724.418 where: short stacking energy: -332.433 Base-Backbone interact. energy: -1.135 local terms energy: -339.499832 where: bonds (distance) C4'-P energy: -54.171 bonds (distance) P-C4' energy: -61.091 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: -101.161 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: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1029.151332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.151332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.151332 (E_RNA) where: Base-Base interactions energy: -704.220 where: short stacking energy: -323.351 Base-Backbone interact. energy: 0.370 local terms energy: -325.301519 where: bonds (distance) C4'-P energy: -61.025 bonds (distance) P-C4' energy: -57.795 flat angles C4'-P-C4' energy: -74.170 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -88.051 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: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -975.736995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.736995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.736995 (E_RNA) where: Base-Base interactions energy: -645.640 where: short stacking energy: -289.109 Base-Backbone interact. energy: 0.749 local terms energy: -330.846029 where: bonds (distance) C4'-P energy: -68.944 bonds (distance) P-C4' energy: -68.985 flat angles C4'-P-C4' energy: -62.459 flat angles P-C4'-P energy: -49.406 tors. eta vs tors. theta energy: -81.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -912.280772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.280772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.280772 (E_RNA) where: Base-Base interactions energy: -597.893 where: short stacking energy: -277.430 Base-Backbone interact. energy: -0.803 local terms energy: -313.584424 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -56.653 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -49.461 tors. eta vs tors. theta energy: -77.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -834.588265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.588265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.588265 (E_RNA) where: Base-Base interactions energy: -531.306 where: short stacking energy: -238.765 Base-Backbone interact. energy: -0.212 local terms energy: -303.070565 where: bonds (distance) C4'-P energy: -56.696 bonds (distance) P-C4' energy: -73.279 flat angles C4'-P-C4' energy: -71.363 flat angles P-C4'-P energy: -33.447 tors. eta vs tors. theta energy: -68.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -720.626921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.626921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.626921 (E_RNA) where: Base-Base interactions energy: -446.138 where: short stacking energy: -213.822 Base-Backbone interact. energy: -0.797 local terms energy: -273.692238 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -55.389 flat angles C4'-P-C4' energy: -56.149 flat angles P-C4'-P energy: -44.253 tors. eta vs tors. theta energy: -54.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -586.872676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.872676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.872676 (E_RNA) where: Base-Base interactions energy: -341.296 where: short stacking energy: -156.385 Base-Backbone interact. energy: -2.442 local terms energy: -243.134107 where: bonds (distance) C4'-P energy: -65.572 bonds (distance) P-C4' energy: -54.285 flat angles C4'-P-C4' energy: -51.913 flat angles P-C4'-P energy: -36.437 tors. eta vs tors. theta energy: -34.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -415.699857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.699857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.699857 (E_RNA) where: Base-Base interactions energy: -210.001 where: short stacking energy: -117.217 Base-Backbone interact. energy: -1.865 local terms energy: -203.834392 where: bonds (distance) C4'-P energy: -57.982 bonds (distance) P-C4' energy: -67.963 flat angles C4'-P-C4' energy: -49.203 flat angles P-C4'-P energy: -21.813 tors. eta vs tors. theta energy: -6.874 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: 212 Temperature: 1.300000 Total energy: -387.796152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.796152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.796152 (E_RNA) where: Base-Base interactions energy: -221.344 where: short stacking energy: -126.033 Base-Backbone interact. energy: 0.164 local terms energy: -166.616494 where: bonds (distance) C4'-P energy: -50.979 bonds (distance) P-C4' energy: -42.672 flat angles C4'-P-C4' energy: -37.015 flat angles P-C4'-P energy: -24.704 tors. eta vs tors. theta energy: -11.246 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: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -288.262918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.262918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.262918 (E_RNA) where: Base-Base interactions energy: -100.815 where: short stacking energy: -85.787 Base-Backbone interact. energy: 4.598 local terms energy: -192.046124 where: bonds (distance) C4'-P energy: -44.554 bonds (distance) P-C4' energy: -68.964 flat angles C4'-P-C4' energy: -51.695 flat angles P-C4'-P energy: -27.013 tors. eta vs tors. theta energy: 0.179 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: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1068.536613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.536613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.536613 (E_RNA) where: Base-Base interactions energy: -711.409 where: short stacking energy: -327.457 Base-Backbone interact. energy: 2.252 local terms energy: -359.379572 where: bonds (distance) C4'-P energy: -66.537 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -73.363 flat angles P-C4'-P energy: -54.467 tors. eta vs tors. theta energy: -98.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1005.992520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.992520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.992520 (E_RNA) where: Base-Base interactions energy: -678.612 where: short stacking energy: -288.618 Base-Backbone interact. energy: 0.831 local terms energy: -328.210963 where: bonds (distance) C4'-P energy: -68.893 bonds (distance) P-C4' energy: -68.277 flat angles C4'-P-C4' energy: -68.299 flat angles P-C4'-P energy: -44.353 tors. eta vs tors. theta energy: -78.389 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: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1003.396407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.396407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.396407 (E_RNA) where: Base-Base interactions energy: -696.790 where: short stacking energy: -291.553 Base-Backbone interact. energy: -0.989 local terms energy: -305.616979 where: bonds (distance) C4'-P energy: -51.285 bonds (distance) P-C4' energy: -68.108 flat angles C4'-P-C4' energy: -68.047 flat angles P-C4'-P energy: -42.839 tors. eta vs tors. theta energy: -75.339 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: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -938.216784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.216784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.216784 (E_RNA) where: Base-Base interactions energy: -621.643 where: short stacking energy: -282.926 Base-Backbone interact. energy: -1.240 local terms energy: -315.333822 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -68.418 flat angles C4'-P-C4' energy: -67.808 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -80.744 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: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -852.911274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.911274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.911274 (E_RNA) where: Base-Base interactions energy: -548.220 where: short stacking energy: -257.949 Base-Backbone interact. energy: -0.350 local terms energy: -304.341463 where: bonds (distance) C4'-P energy: -53.347 bonds (distance) P-C4' energy: -65.983 flat angles C4'-P-C4' energy: -68.574 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -75.188 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: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -747.221800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.221800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.221800 (E_RNA) where: Base-Base interactions energy: -474.230 where: short stacking energy: -240.745 Base-Backbone interact. energy: 0.058 local terms energy: -273.050056 where: bonds (distance) C4'-P energy: -43.234 bonds (distance) P-C4' energy: -57.621 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -38.531 tors. eta vs tors. theta energy: -64.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -590.592281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.592281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.592281 (E_RNA) where: Base-Base interactions energy: -329.963 where: short stacking energy: -167.180 Base-Backbone interact. energy: -0.966 local terms energy: -259.664146 where: bonds (distance) C4'-P energy: -59.494 bonds (distance) P-C4' energy: -66.341 flat angles C4'-P-C4' energy: -63.176 flat angles P-C4'-P energy: -43.617 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: 8, replica: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -457.256165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.256165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.256165 (E_RNA) where: Base-Base interactions energy: -240.526 where: short stacking energy: -112.974 Base-Backbone interact. energy: 0.939 local terms energy: -217.669573 where: bonds (distance) C4'-P energy: -45.966 bonds (distance) P-C4' energy: -58.235 flat angles C4'-P-C4' energy: -62.352 flat angles P-C4'-P energy: -36.634 tors. eta vs tors. theta energy: -14.482 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: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -379.738274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.738274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.738274 (E_RNA) where: Base-Base interactions energy: -193.916 where: short stacking energy: -134.087 Base-Backbone interact. energy: 1.242 local terms energy: -187.063896 where: bonds (distance) C4'-P energy: -48.093 bonds (distance) P-C4' energy: -52.551 flat angles C4'-P-C4' energy: -43.081 flat angles P-C4'-P energy: -28.878 tors. eta vs tors. theta energy: -14.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -284.054594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.054594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.054594 (E_RNA) where: Base-Base interactions energy: -112.624 where: short stacking energy: -93.843 Base-Backbone interact. energy: 6.665 local terms energy: -178.095164 where: bonds (distance) C4'-P energy: -40.388 bonds (distance) P-C4' energy: -58.836 flat angles C4'-P-C4' energy: -51.308 flat angles P-C4'-P energy: -28.917 tors. eta vs tors. theta energy: 1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1075.918370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.918370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.918370 (E_RNA) where: Base-Base interactions energy: -735.680 where: short stacking energy: -325.209 Base-Backbone interact. energy: 2.145 local terms energy: -342.384168 where: bonds (distance) C4'-P energy: -71.732 bonds (distance) P-C4' energy: -61.372 flat angles C4'-P-C4' energy: -66.156 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -96.459 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: 2, replica: 2 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1010.680266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.680266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.680266 (E_RNA) where: Base-Base interactions energy: -680.634 where: short stacking energy: -307.977 Base-Backbone interact. energy: 0.521 local terms energy: -330.568091 where: bonds (distance) C4'-P energy: -61.542 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -69.465 flat angles P-C4'-P energy: -47.016 tors. eta vs tors. theta energy: -83.158 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: 9 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1016.447889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.447889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.447889 (E_RNA) where: Base-Base interactions energy: -701.047 where: short stacking energy: -309.447 Base-Backbone interact. energy: 1.138 local terms energy: -316.539702 where: bonds (distance) C4'-P energy: -48.678 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -72.855 flat angles P-C4'-P energy: -44.424 tors. eta vs tors. theta energy: -89.254 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: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -927.887668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.887668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.887668 (E_RNA) where: Base-Base interactions energy: -618.921 where: short stacking energy: -285.370 Base-Backbone interact. energy: -0.289 local terms energy: -308.678113 where: bonds (distance) C4'-P energy: -54.611 bonds (distance) P-C4' energy: -63.057 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -34.357 tors. eta vs tors. theta energy: -86.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -822.888445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.888445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.888445 (E_RNA) where: Base-Base interactions energy: -508.889 where: short stacking energy: -251.127 Base-Backbone interact. energy: -0.572 local terms energy: -313.427441 where: bonds (distance) C4'-P energy: -67.275 bonds (distance) P-C4' energy: -62.626 flat angles C4'-P-C4' energy: -64.395 flat angles P-C4'-P energy: -50.430 tors. eta vs tors. theta energy: -68.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -718.566183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.566183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.566183 (E_RNA) where: Base-Base interactions energy: -463.178 where: short stacking energy: -217.722 Base-Backbone interact. energy: 0.681 local terms energy: -256.069193 where: bonds (distance) C4'-P energy: -57.799 bonds (distance) P-C4' energy: -66.269 flat angles C4'-P-C4' energy: -52.780 flat angles P-C4'-P energy: -32.670 tors. eta vs tors. theta energy: -46.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -587.342456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.342456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.342456 (E_RNA) where: Base-Base interactions energy: -374.269 where: short stacking energy: -185.521 Base-Backbone interact. energy: -0.325 local terms energy: -212.748765 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -34.467 flat angles C4'-P-C4' energy: -54.099 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: -33.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -451.570757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.570757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.570757 (E_RNA) where: Base-Base interactions energy: -260.109 where: short stacking energy: -141.406 Base-Backbone interact. energy: 1.099 local terms energy: -192.560530 where: bonds (distance) C4'-P energy: -35.151 bonds (distance) P-C4' energy: -62.159 flat angles C4'-P-C4' energy: -41.280 flat angles P-C4'-P energy: -39.797 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -322.895318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.895318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.895318 (E_RNA) where: Base-Base interactions energy: -141.131 where: short stacking energy: -74.675 Base-Backbone interact. energy: -1.239 local terms energy: -180.526058 where: bonds (distance) C4'-P energy: -53.653 bonds (distance) P-C4' energy: -64.779 flat angles C4'-P-C4' energy: -47.662 flat angles P-C4'-P energy: -13.795 tors. eta vs tors. theta energy: -0.637 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: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -300.660318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.660318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.660318 (E_RNA) where: Base-Base interactions energy: -130.656 where: short stacking energy: -86.630 Base-Backbone interact. energy: 1.753 local terms energy: -171.757208 where: bonds (distance) C4'-P energy: -47.476 bonds (distance) P-C4' energy: -48.354 flat angles C4'-P-C4' energy: -40.435 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: 2.456 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: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1069.540797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.540797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.540797 (E_RNA) where: Base-Base interactions energy: -701.371 where: short stacking energy: -320.763 Base-Backbone interact. energy: -0.102 local terms energy: -368.068113 where: bonds (distance) C4'-P energy: -68.492 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -75.529 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: -96.109 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: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1004.284919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.284919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.284919 (E_RNA) where: Base-Base interactions energy: -670.253 where: short stacking energy: -290.477 Base-Backbone interact. energy: -2.134 local terms energy: -331.897141 where: bonds (distance) C4'-P energy: -63.422 bonds (distance) P-C4' energy: -68.031 flat angles C4'-P-C4' energy: -70.091 flat angles P-C4'-P energy: -50.662 tors. eta vs tors. theta energy: -79.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -968.563846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.563846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.563846 (E_RNA) where: Base-Base interactions energy: -665.601 where: short stacking energy: -302.548 Base-Backbone interact. energy: -0.458 local terms energy: -302.504996 where: bonds (distance) C4'-P energy: -57.171 bonds (distance) P-C4' energy: -52.338 flat angles C4'-P-C4' energy: -67.780 flat angles P-C4'-P energy: -49.969 tors. eta vs tors. theta energy: -75.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -930.931547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.931547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.931547 (E_RNA) where: Base-Base interactions energy: -624.832 where: short stacking energy: -283.899 Base-Backbone interact. energy: -1.128 local terms energy: -304.971873 where: bonds (distance) C4'-P energy: -58.559 bonds (distance) P-C4' energy: -60.495 flat angles C4'-P-C4' energy: -67.064 flat angles P-C4'-P energy: -45.760 tors. eta vs tors. theta energy: -73.094 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: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -813.536986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.536986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.536986 (E_RNA) where: Base-Base interactions energy: -530.390 where: short stacking energy: -250.491 Base-Backbone interact. energy: -1.025 local terms energy: -282.121686 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -60.397 flat angles C4'-P-C4' energy: -63.161 flat angles P-C4'-P energy: -35.256 tors. eta vs tors. theta energy: -68.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -701.840176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.840176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.840176 (E_RNA) where: Base-Base interactions energy: -452.146 where: short stacking energy: -221.307 Base-Backbone interact. energy: 3.601 local terms energy: -253.295152 where: bonds (distance) C4'-P energy: -48.740 bonds (distance) P-C4' energy: -55.044 flat angles C4'-P-C4' energy: -52.911 flat angles P-C4'-P energy: -41.568 tors. eta vs tors. theta energy: -55.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -579.233846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.233846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.233846 (E_RNA) where: Base-Base interactions energy: -345.775 where: short stacking energy: -172.681 Base-Backbone interact. energy: -1.062 local terms energy: -232.397316 where: bonds (distance) C4'-P energy: -55.941 bonds (distance) P-C4' energy: -46.644 flat angles C4'-P-C4' energy: -58.682 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: -34.314 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: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -426.868112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.868112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.868112 (E_RNA) where: Base-Base interactions energy: -227.562 where: short stacking energy: -116.237 Base-Backbone interact. energy: 1.325 local terms energy: -200.631171 where: bonds (distance) C4'-P energy: -51.181 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -62.891 flat angles P-C4'-P energy: -30.077 tors. eta vs tors. theta energy: 4.379 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: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -317.773568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.773568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.773568 (E_RNA) where: Base-Base interactions energy: -131.029 where: short stacking energy: -88.030 Base-Backbone interact. energy: 0.008 local terms energy: -186.752328 where: bonds (distance) C4'-P energy: -47.391 bonds (distance) P-C4' energy: -67.102 flat angles C4'-P-C4' energy: -48.118 flat angles P-C4'-P energy: -25.556 tors. eta vs tors. theta energy: 1.414 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: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -267.659730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.659730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.659730 (E_RNA) where: Base-Base interactions energy: -88.631 where: short stacking energy: -71.079 Base-Backbone interact. energy: -0.056 local terms energy: -178.971895 where: bonds (distance) C4'-P energy: -49.025 bonds (distance) P-C4' energy: -55.436 flat angles C4'-P-C4' energy: -54.355 flat angles P-C4'-P energy: -25.949 tors. eta vs tors. theta energy: 5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1085.671487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.671487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.671487 (E_RNA) where: Base-Base interactions energy: -728.555 where: short stacking energy: -328.000 Base-Backbone interact. energy: -1.505 local terms energy: -355.611668 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -63.644 flat angles C4'-P-C4' energy: -78.853 flat angles P-C4'-P energy: -47.150 tors. eta vs tors. theta energy: -98.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1000.298408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.298408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.298408 (E_RNA) where: Base-Base interactions energy: -673.970 where: short stacking energy: -295.328 Base-Backbone interact. energy: -1.416 local terms energy: -324.912415 where: bonds (distance) C4'-P energy: -62.457 bonds (distance) P-C4' energy: -62.375 flat angles C4'-P-C4' energy: -64.158 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -83.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -962.049028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.049028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.049028 (E_RNA) where: Base-Base interactions energy: -642.495 where: short stacking energy: -279.945 Base-Backbone interact. energy: -1.229 local terms energy: -318.324647 where: bonds (distance) C4'-P energy: -66.002 bonds (distance) P-C4' energy: -64.136 flat angles C4'-P-C4' energy: -66.408 flat angles P-C4'-P energy: -47.565 tors. eta vs tors. theta energy: -74.213 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: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -909.914668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.914668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.914668 (E_RNA) where: Base-Base interactions energy: -611.660 where: short stacking energy: -278.210 Base-Backbone interact. energy: -0.977 local terms energy: -297.277331 where: bonds (distance) C4'-P energy: -52.836 bonds (distance) P-C4' energy: -59.601 flat angles C4'-P-C4' energy: -69.798 flat angles P-C4'-P energy: -40.507 tors. eta vs tors. theta energy: -74.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -835.879826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.879826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.879826 (E_RNA) where: Base-Base interactions energy: -568.961 where: short stacking energy: -250.842 Base-Backbone interact. energy: -3.493 local terms energy: -263.425748 where: bonds (distance) C4'-P energy: -47.755 bonds (distance) P-C4' energy: -63.887 flat angles C4'-P-C4' energy: -60.395 flat angles P-C4'-P energy: -32.438 tors. eta vs tors. theta energy: -58.951 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: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -726.013361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.013361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.013361 (E_RNA) where: Base-Base interactions energy: -470.029 where: short stacking energy: -199.886 Base-Backbone interact. energy: -2.583 local terms energy: -253.401296 where: bonds (distance) C4'-P energy: -49.828 bonds (distance) P-C4' energy: -66.558 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -33.028 tors. eta vs tors. theta energy: -42.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -620.083678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.083678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.083678 (E_RNA) where: Base-Base interactions energy: -380.459 where: short stacking energy: -192.778 Base-Backbone interact. energy: -2.280 local terms energy: -237.344454 where: bonds (distance) C4'-P energy: -52.824 bonds (distance) P-C4' energy: -55.858 flat angles C4'-P-C4' energy: -49.050 flat angles P-C4'-P energy: -37.667 tors. eta vs tors. theta energy: -41.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -427.051107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.051107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.051107 (E_RNA) where: Base-Base interactions energy: -222.671 where: short stacking energy: -117.627 Base-Backbone interact. energy: 1.264 local terms energy: -205.644263 where: bonds (distance) C4'-P energy: -44.110 bonds (distance) P-C4' energy: -54.574 flat angles C4'-P-C4' energy: -63.049 flat angles P-C4'-P energy: -32.890 tors. eta vs tors. theta energy: -11.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -306.504931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.504931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.504931 (E_RNA) where: Base-Base interactions energy: -131.488 where: short stacking energy: -93.339 Base-Backbone interact. energy: 0.438 local terms energy: -175.455188 where: bonds (distance) C4'-P energy: -48.567 bonds (distance) P-C4' energy: -52.436 flat angles C4'-P-C4' energy: -34.759 flat angles P-C4'-P energy: -30.532 tors. eta vs tors. theta energy: -9.162 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: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -314.616069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.616069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.616069 (E_RNA) where: Base-Base interactions energy: -140.670 where: short stacking energy: -96.089 Base-Backbone interact. energy: -0.843 local terms energy: -173.103435 where: bonds (distance) C4'-P energy: -51.999 bonds (distance) P-C4' energy: -52.351 flat angles C4'-P-C4' energy: -41.746 flat angles P-C4'-P energy: -31.213 tors. eta vs tors. theta energy: 4.205 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: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1070.576722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.576722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.576722 (E_RNA) where: Base-Base interactions energy: -724.519 where: short stacking energy: -309.437 Base-Backbone interact. energy: -0.907 local terms energy: -345.150746 where: bonds (distance) C4'-P energy: -64.893 bonds (distance) P-C4' energy: -64.042 flat angles C4'-P-C4' energy: -68.162 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -96.015 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: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -990.510298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.510298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.510298 (E_RNA) where: Base-Base interactions energy: -659.832 where: short stacking energy: -276.426 Base-Backbone interact. energy: 0.139 local terms energy: -330.817069 where: bonds (distance) C4'-P energy: -64.529 bonds (distance) P-C4' energy: -67.462 flat angles C4'-P-C4' energy: -69.314 flat angles P-C4'-P energy: -50.245 tors. eta vs tors. theta energy: -79.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -990.107426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.107426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.107426 (E_RNA) where: Base-Base interactions energy: -660.029 where: short stacking energy: -292.360 Base-Backbone interact. energy: 0.202 local terms energy: -330.279675 where: bonds (distance) C4'-P energy: -69.132 bonds (distance) P-C4' energy: -62.052 flat angles C4'-P-C4' energy: -68.723 flat angles P-C4'-P energy: -43.127 tors. eta vs tors. theta energy: -87.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -860.182059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.182059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.182059 (E_RNA) where: Base-Base interactions energy: -549.109 where: short stacking energy: -273.398 Base-Backbone interact. energy: -0.469 local terms energy: -310.604273 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -65.036 flat angles P-C4'-P energy: -41.143 tors. eta vs tors. theta energy: -75.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -912.365699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.365699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.365699 (E_RNA) where: Base-Base interactions energy: -612.882 where: short stacking energy: -278.892 Base-Backbone interact. energy: 2.143 local terms energy: -301.626572 where: bonds (distance) C4'-P energy: -60.017 bonds (distance) P-C4' energy: -58.545 flat angles C4'-P-C4' energy: -66.094 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: -79.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -701.721749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.721749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.721749 (E_RNA) where: Base-Base interactions energy: -426.539 where: short stacking energy: -228.092 Base-Backbone interact. energy: -1.441 local terms energy: -273.741786 where: bonds (distance) C4'-P energy: -60.163 bonds (distance) P-C4' energy: -50.688 flat angles C4'-P-C4' energy: -64.987 flat angles P-C4'-P energy: -39.209 tors. eta vs tors. theta energy: -58.694 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: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -690.763090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.763090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.763090 (E_RNA) where: Base-Base interactions energy: -449.206 where: short stacking energy: -206.090 Base-Backbone interact. energy: 0.373 local terms energy: -241.930181 where: bonds (distance) C4'-P energy: -50.781 bonds (distance) P-C4' energy: -54.534 flat angles C4'-P-C4' energy: -57.678 flat angles P-C4'-P energy: -31.858 tors. eta vs tors. theta energy: -47.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -440.101113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.101113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.101113 (E_RNA) where: Base-Base interactions energy: -226.036 where: short stacking energy: -142.199 Base-Backbone interact. energy: -1.228 local terms energy: -212.837197 where: bonds (distance) C4'-P energy: -50.476 bonds (distance) P-C4' energy: -64.447 flat angles C4'-P-C4' energy: -44.227 flat angles P-C4'-P energy: -25.823 tors. eta vs tors. theta energy: -27.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -350.172618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.172618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.172618 (E_RNA) where: Base-Base interactions energy: -160.938 where: short stacking energy: -107.407 Base-Backbone interact. energy: 0.826 local terms energy: -190.060997 where: bonds (distance) C4'-P energy: -44.903 bonds (distance) P-C4' energy: -53.731 flat angles C4'-P-C4' energy: -53.897 flat angles P-C4'-P energy: -18.667 tors. eta vs tors. theta energy: -18.863 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: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -277.281175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.281175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.281175 (E_RNA) where: Base-Base interactions energy: -87.156 where: short stacking energy: -62.488 Base-Backbone interact. energy: -1.570 local terms energy: -188.554907 where: bonds (distance) C4'-P energy: -57.561 bonds (distance) P-C4' energy: -65.352 flat angles C4'-P-C4' energy: -39.796 flat angles P-C4'-P energy: -26.807 tors. eta vs tors. theta energy: 0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1068.144313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.144313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.144313 (E_RNA) where: Base-Base interactions energy: -718.000 where: short stacking energy: -322.755 Base-Backbone interact. energy: -2.382 local terms energy: -347.762723 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -62.037 flat angles C4'-P-C4' energy: -75.438 flat angles P-C4'-P energy: -52.205 tors. eta vs tors. theta energy: -93.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1005.112141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.112141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.112141 (E_RNA) where: Base-Base interactions energy: -679.676 where: short stacking energy: -294.697 Base-Backbone interact. energy: 0.871 local terms energy: -326.306799 where: bonds (distance) C4'-P energy: -58.502 bonds (distance) P-C4' energy: -59.354 flat angles C4'-P-C4' energy: -72.664 flat angles P-C4'-P energy: -50.799 tors. eta vs tors. theta energy: -84.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -974.532457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.532457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.532457 (E_RNA) where: Base-Base interactions energy: -665.143 where: short stacking energy: -285.209 Base-Backbone interact. energy: -1.878 local terms energy: -307.510833 where: bonds (distance) C4'-P energy: -61.318 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -71.933 flat angles P-C4'-P energy: -34.027 tors. eta vs tors. theta energy: -80.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -856.064977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.064977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.064977 (E_RNA) where: Base-Base interactions energy: -553.214 where: short stacking energy: -287.009 Base-Backbone interact. energy: 0.358 local terms energy: -303.208858 where: bonds (distance) C4'-P energy: -49.162 bonds (distance) P-C4' energy: -64.256 flat angles C4'-P-C4' energy: -66.161 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -78.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -903.012595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.012595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.012595 (E_RNA) where: Base-Base interactions energy: -603.254 where: short stacking energy: -283.412 Base-Backbone interact. energy: 1.947 local terms energy: -301.705949 where: bonds (distance) C4'-P energy: -56.258 bonds (distance) P-C4' energy: -52.191 flat angles C4'-P-C4' energy: -64.397 flat angles P-C4'-P energy: -44.586 tors. eta vs tors. theta energy: -84.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -676.948084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.948084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.948084 (E_RNA) where: Base-Base interactions energy: -428.973 where: short stacking energy: -189.481 Base-Backbone interact. energy: 1.805 local terms energy: -249.779395 where: bonds (distance) C4'-P energy: -53.292 bonds (distance) P-C4' energy: -58.729 flat angles C4'-P-C4' energy: -52.601 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -46.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -671.117575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.117575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.117575 (E_RNA) where: Base-Base interactions energy: -427.546 where: short stacking energy: -205.493 Base-Backbone interact. energy: -0.059 local terms energy: -243.512285 where: bonds (distance) C4'-P energy: -56.645 bonds (distance) P-C4' energy: -50.365 flat angles C4'-P-C4' energy: -65.270 flat angles P-C4'-P energy: -25.899 tors. eta vs tors. theta energy: -45.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -478.612255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.612255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.612255 (E_RNA) where: Base-Base interactions energy: -258.980 where: short stacking energy: -145.902 Base-Backbone interact. energy: 2.867 local terms energy: -222.499392 where: bonds (distance) C4'-P energy: -47.935 bonds (distance) P-C4' energy: -69.124 flat angles C4'-P-C4' energy: -56.400 flat angles P-C4'-P energy: -29.963 tors. eta vs tors. theta energy: -19.076 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: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -326.623820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.623820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.623820 (E_RNA) where: Base-Base interactions energy: -128.345 where: short stacking energy: -68.336 Base-Backbone interact. energy: 1.621 local terms energy: -199.899554 where: bonds (distance) C4'-P energy: -56.830 bonds (distance) P-C4' energy: -54.680 flat angles C4'-P-C4' energy: -60.469 flat angles P-C4'-P energy: -30.598 tors. eta vs tors. theta energy: 2.677 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: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -291.861179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.861179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.861179 (E_RNA) where: Base-Base interactions energy: -115.376 where: short stacking energy: -101.177 Base-Backbone interact. energy: -0.467 local terms energy: -176.018339 where: bonds (distance) C4'-P energy: -46.363 bonds (distance) P-C4' energy: -53.440 flat angles C4'-P-C4' energy: -44.010 flat angles P-C4'-P energy: -29.661 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1070.041778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.041778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.041778 (E_RNA) where: Base-Base interactions energy: -737.970 where: short stacking energy: -329.755 Base-Backbone interact. energy: -1.040 local terms energy: -331.031239 where: bonds (distance) C4'-P energy: -55.534 bonds (distance) P-C4' energy: -61.405 flat angles C4'-P-C4' energy: -70.218 flat angles P-C4'-P energy: -53.780 tors. eta vs tors. theta energy: -90.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1015.534106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.534106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.534106 (E_RNA) where: Base-Base interactions energy: -690.456 where: short stacking energy: -303.572 Base-Backbone interact. energy: 0.738 local terms energy: -325.815954 where: bonds (distance) C4'-P energy: -66.205 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -49.918 tors. eta vs tors. theta energy: -77.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -951.814417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.814417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.814417 (E_RNA) where: Base-Base interactions energy: -630.459 where: short stacking energy: -282.680 Base-Backbone interact. energy: 0.134 local terms energy: -321.489795 where: bonds (distance) C4'-P energy: -61.585 bonds (distance) P-C4' energy: -69.549 flat angles C4'-P-C4' energy: -73.779 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: -76.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -941.219534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.219534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.219534 (E_RNA) where: Base-Base interactions energy: -646.514 where: short stacking energy: -290.386 Base-Backbone interact. energy: 0.717 local terms energy: -295.422474 where: bonds (distance) C4'-P energy: -51.807 bonds (distance) P-C4' energy: -54.889 flat angles C4'-P-C4' energy: -65.491 flat angles P-C4'-P energy: -42.578 tors. eta vs tors. theta energy: -80.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -843.087452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.087452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.087452 (E_RNA) where: Base-Base interactions energy: -551.455 where: short stacking energy: -243.429 Base-Backbone interact. energy: 0.109 local terms energy: -291.741235 where: bonds (distance) C4'-P energy: -46.937 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -71.295 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -69.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -642.525551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.525551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.525551 (E_RNA) where: Base-Base interactions energy: -385.902 where: short stacking energy: -208.141 Base-Backbone interact. energy: -0.458 local terms energy: -256.165336 where: bonds (distance) C4'-P energy: -54.700 bonds (distance) P-C4' energy: -56.355 flat angles C4'-P-C4' energy: -60.532 flat angles P-C4'-P energy: -39.359 tors. eta vs tors. theta energy: -45.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -660.345527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.345527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.345527 (E_RNA) where: Base-Base interactions energy: -430.510 where: short stacking energy: -200.138 Base-Backbone interact. energy: 0.315 local terms energy: -230.151371 where: bonds (distance) C4'-P energy: -49.173 bonds (distance) P-C4' energy: -46.247 flat angles C4'-P-C4' energy: -54.608 flat angles P-C4'-P energy: -32.715 tors. eta vs tors. theta energy: -47.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -459.033725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.033725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.033725 (E_RNA) where: Base-Base interactions energy: -238.227 where: short stacking energy: -147.853 Base-Backbone interact. energy: 0.810 local terms energy: -221.617303 where: bonds (distance) C4'-P energy: -53.799 bonds (distance) P-C4' energy: -58.458 flat angles C4'-P-C4' energy: -51.476 flat angles P-C4'-P energy: -41.002 tors. eta vs tors. theta energy: -16.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -287.303229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.303229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.303229 (E_RNA) where: Base-Base interactions energy: -107.154 where: short stacking energy: -72.834 Base-Backbone interact. energy: -1.274 local terms energy: -178.875189 where: bonds (distance) C4'-P energy: -53.566 bonds (distance) P-C4' energy: -58.990 flat angles C4'-P-C4' energy: -34.208 flat angles P-C4'-P energy: -29.347 tors. eta vs tors. theta energy: -2.764 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: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -281.689656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.689656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.689656 (E_RNA) where: Base-Base interactions energy: -110.896 where: short stacking energy: -76.835 Base-Backbone interact. energy: 2.564 local terms energy: -173.357823 where: bonds (distance) C4'-P energy: -49.210 bonds (distance) P-C4' energy: -59.503 flat angles C4'-P-C4' energy: -36.899 flat angles P-C4'-P energy: -37.137 tors. eta vs tors. theta energy: 9.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1052.072868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.072868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.072868 (E_RNA) where: Base-Base interactions energy: -744.309 where: short stacking energy: -314.666 Base-Backbone interact. energy: 0.865 local terms energy: -308.628665 where: bonds (distance) C4'-P energy: -51.988 bonds (distance) P-C4' energy: -50.146 flat angles C4'-P-C4' energy: -69.107 flat angles P-C4'-P energy: -47.753 tors. eta vs tors. theta energy: -89.635 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: 220 Temperature: 0.950000 Total energy: -1012.373091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.373091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.373091 (E_RNA) where: Base-Base interactions energy: -669.439 where: short stacking energy: -305.758 Base-Backbone interact. energy: 1.006 local terms energy: -343.940588 where: bonds (distance) C4'-P energy: -67.603 bonds (distance) P-C4' energy: -62.817 flat angles C4'-P-C4' energy: -75.607 flat angles P-C4'-P energy: -55.029 tors. eta vs tors. theta energy: -82.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -995.752217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.752217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.752217 (E_RNA) where: Base-Base interactions energy: -664.041 where: short stacking energy: -319.655 Base-Backbone interact. energy: -1.714 local terms energy: -329.996877 where: bonds (distance) C4'-P energy: -52.805 bonds (distance) P-C4' energy: -68.069 flat angles C4'-P-C4' energy: -69.301 flat angles P-C4'-P energy: -49.143 tors. eta vs tors. theta energy: -90.680 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: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -938.390347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.390347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.390347 (E_RNA) where: Base-Base interactions energy: -626.076 where: short stacking energy: -266.611 Base-Backbone interact. energy: -0.484 local terms energy: -311.830410 where: bonds (distance) C4'-P energy: -54.018 bonds (distance) P-C4' energy: -70.170 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -42.935 tors. eta vs tors. theta energy: -73.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -836.314174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.314174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.314174 (E_RNA) where: Base-Base interactions energy: -549.383 where: short stacking energy: -258.804 Base-Backbone interact. energy: -0.680 local terms energy: -286.251355 where: bonds (distance) C4'-P energy: -46.956 bonds (distance) P-C4' energy: -66.593 flat angles C4'-P-C4' energy: -61.815 flat angles P-C4'-P energy: -48.902 tors. eta vs tors. theta energy: -61.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -630.785460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.785460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.785460 (E_RNA) where: Base-Base interactions energy: -373.054 where: short stacking energy: -207.616 Base-Backbone interact. energy: 0.497 local terms energy: -258.228780 where: bonds (distance) C4'-P energy: -51.737 bonds (distance) P-C4' energy: -57.759 flat angles C4'-P-C4' energy: -62.443 flat angles P-C4'-P energy: -43.775 tors. eta vs tors. theta energy: -42.515 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: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -682.303387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.303387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.303387 (E_RNA) where: Base-Base interactions energy: -416.984 where: short stacking energy: -192.746 Base-Backbone interact. energy: -0.682 local terms energy: -264.637254 where: bonds (distance) C4'-P energy: -59.903 bonds (distance) P-C4' energy: -55.937 flat angles C4'-P-C4' energy: -56.887 flat angles P-C4'-P energy: -44.531 tors. eta vs tors. theta energy: -47.378 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: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -469.974980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.974980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.974980 (E_RNA) where: Base-Base interactions energy: -242.831 where: short stacking energy: -128.772 Base-Backbone interact. energy: 0.848 local terms energy: -227.992745 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -62.868 flat angles C4'-P-C4' energy: -62.318 flat angles P-C4'-P energy: -31.563 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -291.962655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.962655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.962655 (E_RNA) where: Base-Base interactions energy: -97.868 where: short stacking energy: -67.799 Base-Backbone interact. energy: -1.183 local terms energy: -192.912135 where: bonds (distance) C4'-P energy: -52.851 bonds (distance) P-C4' energy: -61.335 flat angles C4'-P-C4' energy: -46.934 flat angles P-C4'-P energy: -39.166 tors. eta vs tors. theta energy: 7.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -264.988694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.988694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.988694 (E_RNA) where: Base-Base interactions energy: -88.188 where: short stacking energy: -73.184 Base-Backbone interact. energy: -1.455 local terms energy: -175.346066 where: bonds (distance) C4'-P energy: -46.455 bonds (distance) P-C4' energy: -55.990 flat angles C4'-P-C4' energy: -48.845 flat angles P-C4'-P energy: -32.352 tors. eta vs tors. theta energy: 8.296 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: 9 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1072.322925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.322925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.322925 (E_RNA) where: Base-Base interactions energy: -711.150 where: short stacking energy: -309.608 Base-Backbone interact. energy: -1.615 local terms energy: -359.557855 where: bonds (distance) C4'-P energy: -72.787 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -73.517 flat angles P-C4'-P energy: -60.472 tors. eta vs tors. theta energy: -88.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1047.172967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.172967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.172967 (E_RNA) where: Base-Base interactions energy: -715.203 where: short stacking energy: -323.880 Base-Backbone interact. energy: -1.809 local terms energy: -330.161135 where: bonds (distance) C4'-P energy: -60.563 bonds (distance) P-C4' energy: -56.281 flat angles C4'-P-C4' energy: -71.071 flat angles P-C4'-P energy: -47.132 tors. eta vs tors. theta energy: -95.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -972.510161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.510161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.510161 (E_RNA) where: Base-Base interactions energy: -647.344 where: short stacking energy: -312.753 Base-Backbone interact. energy: -1.201 local terms energy: -323.965749 where: bonds (distance) C4'-P energy: -61.634 bonds (distance) P-C4' energy: -55.112 flat angles C4'-P-C4' energy: -66.886 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -92.378 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: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -945.517025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.517025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.517025 (E_RNA) where: Base-Base interactions energy: -622.662 where: short stacking energy: -270.839 Base-Backbone interact. energy: -2.174 local terms energy: -320.681958 where: bonds (distance) C4'-P energy: -64.228 bonds (distance) P-C4' energy: -62.559 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -50.717 tors. eta vs tors. theta energy: -71.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -838.592042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.592042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.592042 (E_RNA) where: Base-Base interactions energy: -552.739 where: short stacking energy: -263.358 Base-Backbone interact. energy: -1.373 local terms energy: -284.480181 where: bonds (distance) C4'-P energy: -53.696 bonds (distance) P-C4' energy: -64.230 flat angles C4'-P-C4' energy: -67.391 flat angles P-C4'-P energy: -32.559 tors. eta vs tors. theta energy: -66.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -719.132897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.132897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.132897 (E_RNA) where: Base-Base interactions energy: -481.273 where: short stacking energy: -211.768 Base-Backbone interact. energy: -0.771 local terms energy: -237.088418 where: bonds (distance) C4'-P energy: -44.904 bonds (distance) P-C4' energy: -54.799 flat angles C4'-P-C4' energy: -57.131 flat angles P-C4'-P energy: -19.835 tors. eta vs tors. theta energy: -60.419 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: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -613.583088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.583088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.583088 (E_RNA) where: Base-Base interactions energy: -380.361 where: short stacking energy: -177.539 Base-Backbone interact. energy: 1.584 local terms energy: -234.806481 where: bonds (distance) C4'-P energy: -45.812 bonds (distance) P-C4' energy: -54.537 flat angles C4'-P-C4' energy: -53.979 flat angles P-C4'-P energy: -39.233 tors. eta vs tors. theta energy: -41.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -429.024464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.024464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.024464 (E_RNA) where: Base-Base interactions energy: -212.107 where: short stacking energy: -93.443 Base-Backbone interact. energy: -0.952 local terms energy: -215.965457 where: bonds (distance) C4'-P energy: -55.893 bonds (distance) P-C4' energy: -65.495 flat angles C4'-P-C4' energy: -43.417 flat angles P-C4'-P energy: -47.417 tors. eta vs tors. theta energy: -3.743 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: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -334.530926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.530926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.530926 (E_RNA) where: Base-Base interactions energy: -140.317 where: short stacking energy: -102.293 Base-Backbone interact. energy: 4.576 local terms energy: -198.790080 where: bonds (distance) C4'-P energy: -53.480 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -46.928 flat angles P-C4'-P energy: -32.038 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -277.279947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.279947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.279947 (E_RNA) where: Base-Base interactions energy: -91.849 where: short stacking energy: -72.300 Base-Backbone interact. energy: 2.204 local terms energy: -187.634662 where: bonds (distance) C4'-P energy: -39.989 bonds (distance) P-C4' energy: -63.359 flat angles C4'-P-C4' energy: -55.336 flat angles P-C4'-P energy: -32.683 tors. eta vs tors. theta energy: 3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1067.490743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.490743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.490743 (E_RNA) where: Base-Base interactions energy: -728.985 where: short stacking energy: -328.413 Base-Backbone interact. energy: -2.628 local terms energy: -335.878132 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -59.959 flat angles C4'-P-C4' energy: -71.406 flat angles P-C4'-P energy: -50.997 tors. eta vs tors. theta energy: -91.420 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: 222 Temperature: 0.950000 Total energy: -1035.855921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.855921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.855921 (E_RNA) where: Base-Base interactions energy: -688.091 where: short stacking energy: -316.631 Base-Backbone interact. energy: -1.426 local terms energy: -346.339534 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -69.069 flat angles P-C4'-P energy: -55.388 tors. eta vs tors. theta energy: -93.604 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: 222 Temperature: 1.000000 Total energy: -951.667470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.667470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.667470 (E_RNA) where: Base-Base interactions energy: -644.202 where: short stacking energy: -291.776 Base-Backbone interact. energy: -1.780 local terms energy: -305.685511 where: bonds (distance) C4'-P energy: -54.138 bonds (distance) P-C4' energy: -57.470 flat angles C4'-P-C4' energy: -61.184 flat angles P-C4'-P energy: -44.600 tors. eta vs tors. theta energy: -88.293 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: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -936.718866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.718866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.718866 (E_RNA) where: Base-Base interactions energy: -627.985 where: short stacking energy: -274.362 Base-Backbone interact. energy: -1.252 local terms energy: -307.482031 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -63.188 flat angles C4'-P-C4' energy: -68.785 flat angles P-C4'-P energy: -42.761 tors. eta vs tors. theta energy: -68.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -838.595589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.595589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.595589 (E_RNA) where: Base-Base interactions energy: -544.941 where: short stacking energy: -255.676 Base-Backbone interact. energy: -0.472 local terms energy: -293.182735 where: bonds (distance) C4'-P energy: -57.473 bonds (distance) P-C4' energy: -64.258 flat angles C4'-P-C4' energy: -66.625 flat angles P-C4'-P energy: -37.725 tors. eta vs tors. theta energy: -67.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -737.977111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.977111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.977111 (E_RNA) where: Base-Base interactions energy: -465.407 where: short stacking energy: -244.692 Base-Backbone interact. energy: -0.874 local terms energy: -271.696432 where: bonds (distance) C4'-P energy: -49.980 bonds (distance) P-C4' energy: -54.565 flat angles C4'-P-C4' energy: -65.083 flat angles P-C4'-P energy: -41.040 tors. eta vs tors. theta energy: -61.029 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: 222 Temperature: 1.200000 Total energy: -584.344463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.344463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.344463 (E_RNA) where: Base-Base interactions energy: -365.564 where: short stacking energy: -173.419 Base-Backbone interact. energy: -0.935 local terms energy: -217.845623 where: bonds (distance) C4'-P energy: -56.028 bonds (distance) P-C4' energy: -40.455 flat angles C4'-P-C4' energy: -61.224 flat angles P-C4'-P energy: -31.853 tors. eta vs tors. theta energy: -28.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -439.463784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.463784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.463784 (E_RNA) where: Base-Base interactions energy: -233.788 where: short stacking energy: -145.075 Base-Backbone interact. energy: 0.509 local terms energy: -206.184701 where: bonds (distance) C4'-P energy: -50.239 bonds (distance) P-C4' energy: -60.307 flat angles C4'-P-C4' energy: -44.912 flat angles P-C4'-P energy: -31.714 tors. eta vs tors. theta energy: -19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -317.987127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.987127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.987127 (E_RNA) where: Base-Base interactions energy: -129.614 where: short stacking energy: -91.096 Base-Backbone interact. energy: -0.168 local terms energy: -188.204843 where: bonds (distance) C4'-P energy: -40.502 bonds (distance) P-C4' energy: -60.511 flat angles C4'-P-C4' energy: -53.690 flat angles P-C4'-P energy: -36.727 tors. eta vs tors. theta energy: 3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -264.063016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.063016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.063016 (E_RNA) where: Base-Base interactions energy: -98.254 where: short stacking energy: -67.649 Base-Backbone interact. energy: 0.530 local terms energy: -166.339035 where: bonds (distance) C4'-P energy: -49.692 bonds (distance) P-C4' energy: -45.114 flat angles C4'-P-C4' energy: -49.030 flat angles P-C4'-P energy: -31.266 tors. eta vs tors. theta energy: 8.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1057.333389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.333389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.333389 (E_RNA) where: Base-Base interactions energy: -726.809 where: short stacking energy: -309.565 Base-Backbone interact. energy: 0.289 local terms energy: -330.813605 where: bonds (distance) C4'-P energy: -65.016 bonds (distance) P-C4' energy: -60.675 flat angles C4'-P-C4' energy: -70.245 flat angles P-C4'-P energy: -48.198 tors. eta vs tors. theta energy: -86.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1011.922774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.922774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.922774 (E_RNA) where: Base-Base interactions energy: -684.503 where: short stacking energy: -317.004 Base-Backbone interact. energy: -0.576 local terms energy: -326.843400 where: bonds (distance) C4'-P energy: -53.578 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -78.790 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -85.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -951.401971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.401971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.401971 (E_RNA) where: Base-Base interactions energy: -629.540 where: short stacking energy: -290.134 Base-Backbone interact. energy: 0.587 local terms energy: -322.448999 where: bonds (distance) C4'-P energy: -65.102 bonds (distance) P-C4' energy: -57.653 flat angles C4'-P-C4' energy: -73.954 flat angles P-C4'-P energy: -40.303 tors. eta vs tors. theta energy: -85.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -923.358379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.358379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.358379 (E_RNA) where: Base-Base interactions energy: -639.676 where: short stacking energy: -263.568 Base-Backbone interact. energy: -1.411 local terms energy: -282.271908 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -63.717 flat angles C4'-P-C4' energy: -70.415 flat angles P-C4'-P energy: -35.864 tors. eta vs tors. theta energy: -53.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -822.399089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.399089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.399089 (E_RNA) where: Base-Base interactions energy: -534.644 where: short stacking energy: -241.115 Base-Backbone interact. energy: 0.491 local terms energy: -288.245886 where: bonds (distance) C4'-P energy: -58.616 bonds (distance) P-C4' energy: -61.353 flat angles C4'-P-C4' energy: -57.496 flat angles P-C4'-P energy: -35.666 tors. eta vs tors. theta energy: -75.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -735.779623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.779623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.779623 (E_RNA) where: Base-Base interactions energy: -470.302 where: short stacking energy: -224.741 Base-Backbone interact. energy: -1.465 local terms energy: -264.012517 where: bonds (distance) C4'-P energy: -54.792 bonds (distance) P-C4' energy: -54.932 flat angles C4'-P-C4' energy: -63.882 flat angles P-C4'-P energy: -28.269 tors. eta vs tors. theta energy: -62.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -653.241817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.241817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.241817 (E_RNA) where: Base-Base interactions energy: -390.674 where: short stacking energy: -184.680 Base-Backbone interact. energy: 3.284 local terms energy: -265.852521 where: bonds (distance) C4'-P energy: -53.424 bonds (distance) P-C4' energy: -64.067 flat angles C4'-P-C4' energy: -61.794 flat angles P-C4'-P energy: -38.642 tors. eta vs tors. theta energy: -47.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -428.473885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.473885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.473885 (E_RNA) where: Base-Base interactions energy: -208.246 where: short stacking energy: -119.301 Base-Backbone interact. energy: -3.376 local terms energy: -216.852036 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -62.440 flat angles P-C4'-P energy: -31.560 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -349.624693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.624693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.624693 (E_RNA) where: Base-Base interactions energy: -186.989 where: short stacking energy: -105.137 Base-Backbone interact. energy: -1.439 local terms energy: -161.196827 where: bonds (distance) C4'-P energy: -41.268 bonds (distance) P-C4' energy: -34.347 flat angles C4'-P-C4' energy: -49.407 flat angles P-C4'-P energy: -36.245 tors. eta vs tors. theta energy: 0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -261.705317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.705317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.705317 (E_RNA) where: Base-Base interactions energy: -84.728 where: short stacking energy: -62.838 Base-Backbone interact. energy: -0.945 local terms energy: -176.032208 where: bonds (distance) C4'-P energy: -51.293 bonds (distance) P-C4' energy: -68.432 flat angles C4'-P-C4' energy: -44.116 flat angles P-C4'-P energy: -30.687 tors. eta vs tors. theta energy: 18.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1057.458461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.458461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.458461 (E_RNA) where: Base-Base interactions energy: -727.586 where: short stacking energy: -324.105 Base-Backbone interact. energy: -2.894 local terms energy: -326.979128 where: bonds (distance) C4'-P energy: -58.782 bonds (distance) P-C4' energy: -65.124 flat angles C4'-P-C4' energy: -66.540 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -93.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1023.512126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.512126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.512126 (E_RNA) where: Base-Base interactions energy: -696.436 where: short stacking energy: -309.993 Base-Backbone interact. energy: -0.926 local terms energy: -326.150345 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -55.409 flat angles C4'-P-C4' energy: -71.880 flat angles P-C4'-P energy: -51.343 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -958.637113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.637113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.637113 (E_RNA) where: Base-Base interactions energy: -676.556 where: short stacking energy: -277.282 Base-Backbone interact. energy: 0.982 local terms energy: -283.063357 where: bonds (distance) C4'-P energy: -50.105 bonds (distance) P-C4' energy: -60.501 flat angles C4'-P-C4' energy: -68.807 flat angles P-C4'-P energy: -35.680 tors. eta vs tors. theta energy: -67.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -932.626479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.626479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.626479 (E_RNA) where: Base-Base interactions energy: -607.984 where: short stacking energy: -279.386 Base-Backbone interact. energy: 1.398 local terms energy: -326.040119 where: bonds (distance) C4'-P energy: -68.724 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -80.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -824.182144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.182144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.182144 (E_RNA) where: Base-Base interactions energy: -538.437 where: short stacking energy: -243.658 Base-Backbone interact. energy: -0.859 local terms energy: -284.885947 where: bonds (distance) C4'-P energy: -63.152 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -76.729 flat angles P-C4'-P energy: -22.837 tors. eta vs tors. theta energy: -62.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -650.585926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.585926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.585926 (E_RNA) where: Base-Base interactions energy: -410.588 where: short stacking energy: -204.384 Base-Backbone interact. energy: -0.659 local terms energy: -239.338695 where: bonds (distance) C4'-P energy: -54.922 bonds (distance) P-C4' energy: -52.841 flat angles C4'-P-C4' energy: -63.088 flat angles P-C4'-P energy: -34.842 tors. eta vs tors. theta energy: -33.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -654.495755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.495755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.495755 (E_RNA) where: Base-Base interactions energy: -399.208 where: short stacking energy: -191.720 Base-Backbone interact. energy: 1.915 local terms energy: -257.202572 where: bonds (distance) C4'-P energy: -57.728 bonds (distance) P-C4' energy: -55.106 flat angles C4'-P-C4' energy: -61.536 flat angles P-C4'-P energy: -46.473 tors. eta vs tors. theta energy: -36.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -434.222815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.222815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.222815 (E_RNA) where: Base-Base interactions energy: -222.418 where: short stacking energy: -121.373 Base-Backbone interact. energy: -1.014 local terms energy: -210.790848 where: bonds (distance) C4'-P energy: -53.114 bonds (distance) P-C4' energy: -58.225 flat angles C4'-P-C4' energy: -57.868 flat angles P-C4'-P energy: -27.522 tors. eta vs tors. theta energy: -14.062 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: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -298.983426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.983426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.983426 (E_RNA) where: Base-Base interactions energy: -113.436 where: short stacking energy: -80.046 Base-Backbone interact. energy: 0.963 local terms energy: -186.510539 where: bonds (distance) C4'-P energy: -63.220 bonds (distance) P-C4' energy: -51.833 flat angles C4'-P-C4' energy: -46.867 flat angles P-C4'-P energy: -24.900 tors. eta vs tors. theta energy: 0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -274.330488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.330488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.330488 (E_RNA) where: Base-Base interactions energy: -100.379 where: short stacking energy: -92.889 Base-Backbone interact. energy: -0.453 local terms energy: -173.498327 where: bonds (distance) C4'-P energy: -53.588 bonds (distance) P-C4' energy: -44.961 flat angles C4'-P-C4' energy: -52.824 flat angles P-C4'-P energy: -37.874 tors. eta vs tors. theta energy: 15.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1065.928453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.928453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.928453 (E_RNA) where: Base-Base interactions energy: -735.270 where: short stacking energy: -319.264 Base-Backbone interact. energy: -0.060 local terms energy: -330.598008 where: bonds (distance) C4'-P energy: -63.015 bonds (distance) P-C4' energy: -65.628 flat angles C4'-P-C4' energy: -65.875 flat angles P-C4'-P energy: -42.257 tors. eta vs tors. theta energy: -93.822 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: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1007.765124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.765124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.765124 (E_RNA) where: Base-Base interactions energy: -668.196 where: short stacking energy: -304.120 Base-Backbone interact. energy: -0.600 local terms energy: -338.968354 where: bonds (distance) C4'-P energy: -60.452 bonds (distance) P-C4' energy: -66.909 flat angles C4'-P-C4' energy: -65.319 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: -92.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -970.513731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.513731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.513731 (E_RNA) where: Base-Base interactions energy: -659.096 where: short stacking energy: -274.464 Base-Backbone interact. energy: -0.725 local terms energy: -310.693000 where: bonds (distance) C4'-P energy: -68.695 bonds (distance) P-C4' energy: -64.728 flat angles C4'-P-C4' energy: -73.314 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: -67.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -912.725387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.725387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.725387 (E_RNA) where: Base-Base interactions energy: -610.221 where: short stacking energy: -281.556 Base-Backbone interact. energy: -0.960 local terms energy: -301.543926 where: bonds (distance) C4'-P energy: -56.647 bonds (distance) P-C4' energy: -55.964 flat angles C4'-P-C4' energy: -58.507 flat angles P-C4'-P energy: -40.591 tors. eta vs tors. theta energy: -89.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -820.442189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.442189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.442189 (E_RNA) where: Base-Base interactions energy: -513.097 where: short stacking energy: -235.443 Base-Backbone interact. energy: 0.337 local terms energy: -307.682330 where: bonds (distance) C4'-P energy: -63.411 bonds (distance) P-C4' energy: -61.724 flat angles C4'-P-C4' energy: -64.359 flat angles P-C4'-P energy: -51.711 tors. eta vs tors. theta energy: -66.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -681.443985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.443985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.443985 (E_RNA) where: Base-Base interactions energy: -407.060 where: short stacking energy: -182.699 Base-Backbone interact. energy: -2.812 local terms energy: -271.572066 where: bonds (distance) C4'-P energy: -55.333 bonds (distance) P-C4' energy: -68.571 flat angles C4'-P-C4' energy: -62.557 flat angles P-C4'-P energy: -44.288 tors. eta vs tors. theta energy: -40.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -637.815696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.815696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.815696 (E_RNA) where: Base-Base interactions energy: -380.527 where: short stacking energy: -182.667 Base-Backbone interact. energy: -0.368 local terms energy: -256.920651 where: bonds (distance) C4'-P energy: -59.602 bonds (distance) P-C4' energy: -54.389 flat angles C4'-P-C4' energy: -50.211 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -49.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -460.357084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.357084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.357084 (E_RNA) where: Base-Base interactions energy: -250.147 where: short stacking energy: -151.039 Base-Backbone interact. energy: -0.048 local terms energy: -210.162023 where: bonds (distance) C4'-P energy: -52.318 bonds (distance) P-C4' energy: -69.645 flat angles C4'-P-C4' energy: -45.686 flat angles P-C4'-P energy: -21.734 tors. eta vs tors. theta energy: -20.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -307.182905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.182905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.182905 (E_RNA) where: Base-Base interactions energy: -104.442 where: short stacking energy: -93.267 Base-Backbone interact. energy: -0.896 local terms energy: -201.845061 where: bonds (distance) C4'-P energy: -53.385 bonds (distance) P-C4' energy: -59.127 flat angles C4'-P-C4' energy: -61.559 flat angles P-C4'-P energy: -19.806 tors. eta vs tors. theta energy: -7.969 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: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -261.001163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.001163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.001163 (E_RNA) where: Base-Base interactions energy: -82.668 where: short stacking energy: -66.012 Base-Backbone interact. energy: -0.089 local terms energy: -178.244154 where: bonds (distance) C4'-P energy: -58.852 bonds (distance) P-C4' energy: -52.610 flat angles C4'-P-C4' energy: -47.439 flat angles P-C4'-P energy: -34.074 tors. eta vs tors. theta energy: 14.731 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: 1, replica: 9 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1043.345320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.345320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.345320 (E_RNA) where: Base-Base interactions energy: -700.073 where: short stacking energy: -310.341 Base-Backbone interact. energy: 0.841 local terms energy: -344.113702 where: bonds (distance) C4'-P energy: -65.391 bonds (distance) P-C4' energy: -64.425 flat angles C4'-P-C4' energy: -68.730 flat angles P-C4'-P energy: -56.043 tors. eta vs tors. theta energy: -89.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1002.243404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.243404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.243404 (E_RNA) where: Base-Base interactions energy: -675.235 where: short stacking energy: -277.700 Base-Backbone interact. energy: -1.624 local terms energy: -325.384238 where: bonds (distance) C4'-P energy: -69.493 bonds (distance) P-C4' energy: -64.325 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -76.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -971.576559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.576559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.576559 (E_RNA) where: Base-Base interactions energy: -643.051 where: short stacking energy: -276.086 Base-Backbone interact. energy: 0.201 local terms energy: -328.727451 where: bonds (distance) C4'-P energy: -65.816 bonds (distance) P-C4' energy: -62.119 flat angles C4'-P-C4' energy: -69.480 flat angles P-C4'-P energy: -52.350 tors. eta vs tors. theta energy: -78.961 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: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -923.954020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.954020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.954020 (E_RNA) where: Base-Base interactions energy: -630.411 where: short stacking energy: -273.705 Base-Backbone interact. energy: -0.215 local terms energy: -293.328008 where: bonds (distance) C4'-P energy: -54.919 bonds (distance) P-C4' energy: -50.187 flat angles C4'-P-C4' energy: -66.979 flat angles P-C4'-P energy: -38.335 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: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -818.912996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.912996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.912996 (E_RNA) where: Base-Base interactions energy: -548.185 where: short stacking energy: -236.068 Base-Backbone interact. energy: 0.587 local terms energy: -271.315051 where: bonds (distance) C4'-P energy: -51.779 bonds (distance) P-C4' energy: -57.326 flat angles C4'-P-C4' energy: -61.186 flat angles P-C4'-P energy: -40.592 tors. eta vs tors. theta energy: -60.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -715.241757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.241757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.241757 (E_RNA) where: Base-Base interactions energy: -442.503 where: short stacking energy: -219.349 Base-Backbone interact. energy: -0.017 local terms energy: -272.721476 where: bonds (distance) C4'-P energy: -55.128 bonds (distance) P-C4' energy: -58.928 flat angles C4'-P-C4' energy: -67.094 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -42.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -648.290747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.290747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.290747 (E_RNA) where: Base-Base interactions energy: -398.040 where: short stacking energy: -177.076 Base-Backbone interact. energy: -0.374 local terms energy: -249.876085 where: bonds (distance) C4'-P energy: -48.152 bonds (distance) P-C4' energy: -65.160 flat angles C4'-P-C4' energy: -56.034 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -39.145 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: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -515.970116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.970116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.970116 (E_RNA) where: Base-Base interactions energy: -293.150 where: short stacking energy: -153.761 Base-Backbone interact. energy: -0.092 local terms energy: -222.727650 where: bonds (distance) C4'-P energy: -47.277 bonds (distance) P-C4' energy: -57.355 flat angles C4'-P-C4' energy: -53.591 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -22.009 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: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -311.900517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.900517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.900517 (E_RNA) where: Base-Base interactions energy: -119.884 where: short stacking energy: -111.377 Base-Backbone interact. energy: -0.573 local terms energy: -191.443872 where: bonds (distance) C4'-P energy: -46.364 bonds (distance) P-C4' energy: -56.900 flat angles C4'-P-C4' energy: -52.857 flat angles P-C4'-P energy: -30.626 tors. eta vs tors. theta energy: -4.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -293.048738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.048738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.048738 (E_RNA) where: Base-Base interactions energy: -144.258 where: short stacking energy: -96.659 Base-Backbone interact. energy: -0.711 local terms energy: -148.079822 where: bonds (distance) C4'-P energy: -32.099 bonds (distance) P-C4' energy: -53.711 flat angles C4'-P-C4' energy: -48.304 flat angles P-C4'-P energy: -21.088 tors. eta vs tors. theta energy: 7.121 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: 9 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1034.453033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.453033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.453033 (E_RNA) where: Base-Base interactions energy: -701.863 where: short stacking energy: -298.872 Base-Backbone interact. energy: -1.099 local terms energy: -331.491112 where: bonds (distance) C4'-P energy: -72.725 bonds (distance) P-C4' energy: -64.863 flat angles C4'-P-C4' energy: -63.109 flat angles P-C4'-P energy: -51.231 tors. eta vs tors. theta energy: -79.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1008.336452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.336452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.336452 (E_RNA) where: Base-Base interactions energy: -686.923 where: short stacking energy: -309.476 Base-Backbone interact. energy: -1.017 local terms energy: -320.396021 where: bonds (distance) C4'-P energy: -55.308 bonds (distance) P-C4' energy: -61.175 flat angles C4'-P-C4' energy: -75.502 flat angles P-C4'-P energy: -38.338 tors. eta vs tors. theta energy: -90.073 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: 227 Temperature: 1.000000 Total energy: -953.699532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.699532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.699532 (E_RNA) where: Base-Base interactions energy: -648.110 where: short stacking energy: -268.791 Base-Backbone interact. energy: 1.030 local terms energy: -306.619950 where: bonds (distance) C4'-P energy: -60.276 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -65.255 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: 4, replica: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -921.086506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.086506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.086506 (E_RNA) where: Base-Base interactions energy: -627.126 where: short stacking energy: -274.497 Base-Backbone interact. energy: 2.421 local terms energy: -296.382016 where: bonds (distance) C4'-P energy: -51.068 bonds (distance) P-C4' energy: -49.177 flat angles C4'-P-C4' energy: -66.451 flat angles P-C4'-P energy: -44.629 tors. eta vs tors. theta energy: -85.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -824.029906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.029906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.029906 (E_RNA) where: Base-Base interactions energy: -551.668 where: short stacking energy: -229.365 Base-Backbone interact. energy: -0.099 local terms energy: -272.262705 where: bonds (distance) C4'-P energy: -62.345 bonds (distance) P-C4' energy: -45.950 flat angles C4'-P-C4' energy: -64.949 flat angles P-C4'-P energy: -36.178 tors. eta vs tors. theta energy: -62.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -654.330726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.330726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.330726 (E_RNA) where: Base-Base interactions energy: -395.765 where: short stacking energy: -197.561 Base-Backbone interact. energy: -0.513 local terms energy: -258.052990 where: bonds (distance) C4'-P energy: -58.064 bonds (distance) P-C4' energy: -59.162 flat angles C4'-P-C4' energy: -48.415 flat angles P-C4'-P energy: -44.549 tors. eta vs tors. theta energy: -47.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -658.752628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.752628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.752628 (E_RNA) where: Base-Base interactions energy: -395.708 where: short stacking energy: -206.228 Base-Backbone interact. energy: 1.551 local terms energy: -264.595936 where: bonds (distance) C4'-P energy: -64.174 bonds (distance) P-C4' energy: -54.840 flat angles C4'-P-C4' energy: -58.886 flat angles P-C4'-P energy: -41.167 tors. eta vs tors. theta energy: -45.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -591.275779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.275779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.275779 (E_RNA) where: Base-Base interactions energy: -364.590 where: short stacking energy: -163.939 Base-Backbone interact. energy: -0.487 local terms energy: -226.199417 where: bonds (distance) C4'-P energy: -63.057 bonds (distance) P-C4' energy: -56.246 flat angles C4'-P-C4' energy: -47.275 flat angles P-C4'-P energy: -27.198 tors. eta vs tors. theta energy: -32.424 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: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -339.758554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.758554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.758554 (E_RNA) where: Base-Base interactions energy: -155.467 where: short stacking energy: -89.487 Base-Backbone interact. energy: 1.419 local terms energy: -185.710493 where: bonds (distance) C4'-P energy: -52.993 bonds (distance) P-C4' energy: -57.104 flat angles C4'-P-C4' energy: -53.710 flat angles P-C4'-P energy: -20.490 tors. eta vs tors. theta energy: -1.414 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: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -252.245643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.245643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.245643 (E_RNA) where: Base-Base interactions energy: -93.024 where: short stacking energy: -85.246 Base-Backbone interact. energy: -0.557 local terms energy: -158.664843 where: bonds (distance) C4'-P energy: -53.067 bonds (distance) P-C4' energy: -54.582 flat angles C4'-P-C4' energy: -40.655 flat angles P-C4'-P energy: -19.091 tors. eta vs tors. theta energy: 8.730 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: 1, replica: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1056.797299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.797299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.797299 (E_RNA) where: Base-Base interactions energy: -721.634 where: short stacking energy: -301.554 Base-Backbone interact. energy: -2.267 local terms energy: -332.896360 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -69.561 flat angles P-C4'-P energy: -57.628 tors. eta vs tors. theta energy: -82.607 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: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1010.377139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.377139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.377139 (E_RNA) where: Base-Base interactions energy: -678.879 where: short stacking energy: -305.364 Base-Backbone interact. energy: -0.990 local terms energy: -330.508109 where: bonds (distance) C4'-P energy: -68.602 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -68.406 flat angles P-C4'-P energy: -47.312 tors. eta vs tors. theta energy: -78.948 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: 228 Temperature: 1.000000 Total energy: -943.288893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.288893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.288893 (E_RNA) where: Base-Base interactions energy: -635.382 where: short stacking energy: -274.554 Base-Backbone interact. energy: -0.604 local terms energy: -307.302622 where: bonds (distance) C4'-P energy: -55.833 bonds (distance) P-C4' energy: -59.055 flat angles C4'-P-C4' energy: -70.939 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -76.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -897.212916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.212916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.212916 (E_RNA) where: Base-Base interactions energy: -590.113 where: short stacking energy: -263.208 Base-Backbone interact. energy: -1.099 local terms energy: -306.001122 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -68.871 flat angles C4'-P-C4' energy: -58.941 flat angles P-C4'-P energy: -40.555 tors. eta vs tors. theta energy: -77.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -847.301362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.301362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.301362 (E_RNA) where: Base-Base interactions energy: -544.624 where: short stacking energy: -251.195 Base-Backbone interact. energy: -0.417 local terms energy: -302.260322 where: bonds (distance) C4'-P energy: -66.770 bonds (distance) P-C4' energy: -47.901 flat angles C4'-P-C4' energy: -76.860 flat angles P-C4'-P energy: -37.571 tors. eta vs tors. theta energy: -73.160 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: 228 Temperature: 1.150000 Total energy: -643.162626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.162626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.162626 (E_RNA) where: Base-Base interactions energy: -397.351 where: short stacking energy: -173.304 Base-Backbone interact. energy: -2.622 local terms energy: -243.189130 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -47.198 flat angles P-C4'-P energy: -29.457 tors. eta vs tors. theta energy: -44.309 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: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -641.745005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.745005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.745005 (E_RNA) where: Base-Base interactions energy: -389.948 where: short stacking energy: -172.807 Base-Backbone interact. energy: 0.426 local terms energy: -252.223528 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -64.928 flat angles C4'-P-C4' energy: -62.426 flat angles P-C4'-P energy: -37.655 tors. eta vs tors. theta energy: -32.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -605.597906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.597906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.597906 (E_RNA) where: Base-Base interactions energy: -351.893 where: short stacking energy: -159.218 Base-Backbone interact. energy: -1.470 local terms energy: -252.235533 where: bonds (distance) C4'-P energy: -68.592 bonds (distance) P-C4' energy: -56.927 flat angles C4'-P-C4' energy: -55.863 flat angles P-C4'-P energy: -39.277 tors. eta vs tors. theta energy: -31.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -292.370591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.370591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.370591 (E_RNA) where: Base-Base interactions energy: -109.895 where: short stacking energy: -87.691 Base-Backbone interact. energy: -1.470 local terms energy: -181.005936 where: bonds (distance) C4'-P energy: -42.194 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -48.982 flat angles P-C4'-P energy: -29.633 tors. eta vs tors. theta energy: 3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -281.000209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.000209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.000209 (E_RNA) where: Base-Base interactions energy: -107.831 where: short stacking energy: -68.249 Base-Backbone interact. energy: 1.404 local terms energy: -174.573292 where: bonds (distance) C4'-P energy: -44.347 bonds (distance) P-C4' energy: -50.346 flat angles C4'-P-C4' energy: -53.813 flat angles P-C4'-P energy: -30.294 tors. eta vs tors. theta energy: 4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1040.222328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.222328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.222328 (E_RNA) where: Base-Base interactions energy: -695.681 where: short stacking energy: -302.540 Base-Backbone interact. energy: -2.842 local terms energy: -341.699094 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -68.633 flat angles C4'-P-C4' energy: -65.813 flat angles P-C4'-P energy: -60.920 tors. eta vs tors. theta energy: -82.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1000.443783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.443783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.443783 (E_RNA) where: Base-Base interactions energy: -682.891 where: short stacking energy: -318.961 Base-Backbone interact. energy: -1.246 local terms energy: -316.306944 where: bonds (distance) C4'-P energy: -55.747 bonds (distance) P-C4' energy: -60.584 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -52.209 tors. eta vs tors. theta energy: -76.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -979.289686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.289686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.289686 (E_RNA) where: Base-Base interactions energy: -656.423 where: short stacking energy: -289.109 Base-Backbone interact. energy: 1.486 local terms energy: -324.352420 where: bonds (distance) C4'-P energy: -64.734 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -42.889 tors. eta vs tors. theta energy: -91.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -892.897126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.897126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.897126 (E_RNA) where: Base-Base interactions energy: -577.572 where: short stacking energy: -262.978 Base-Backbone interact. energy: -0.884 local terms energy: -314.440754 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -65.328 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -38.704 tors. eta vs tors. theta energy: -77.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -872.583894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.583894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.583894 (E_RNA) where: Base-Base interactions energy: -592.727 where: short stacking energy: -239.238 Base-Backbone interact. energy: 0.016 local terms energy: -279.872887 where: bonds (distance) C4'-P energy: -57.445 bonds (distance) P-C4' energy: -55.517 flat angles C4'-P-C4' energy: -55.505 flat angles P-C4'-P energy: -44.231 tors. eta vs tors. theta energy: -67.175 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: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -682.173907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.173907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.173907 (E_RNA) where: Base-Base interactions energy: -439.647 where: short stacking energy: -207.045 Base-Backbone interact. energy: -0.444 local terms energy: -242.082542 where: bonds (distance) C4'-P energy: -52.932 bonds (distance) P-C4' energy: -51.301 flat angles C4'-P-C4' energy: -43.692 flat angles P-C4'-P energy: -32.159 tors. eta vs tors. theta energy: -62.000 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: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -609.254189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.254189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.254189 (E_RNA) where: Base-Base interactions energy: -369.348 where: short stacking energy: -162.781 Base-Backbone interact. energy: 0.056 local terms energy: -239.961905 where: bonds (distance) C4'-P energy: -47.142 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -54.955 flat angles P-C4'-P energy: -41.950 tors. eta vs tors. theta energy: -40.391 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: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -594.626231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.626231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.626231 (E_RNA) where: Base-Base interactions energy: -363.659 where: short stacking energy: -188.332 Base-Backbone interact. energy: -0.008 local terms energy: -230.958927 where: bonds (distance) C4'-P energy: -54.643 bonds (distance) P-C4' energy: -43.813 flat angles C4'-P-C4' energy: -53.810 flat angles P-C4'-P energy: -27.978 tors. eta vs tors. theta energy: -50.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -288.623365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.623365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.623365 (E_RNA) where: Base-Base interactions energy: -119.674 where: short stacking energy: -105.638 Base-Backbone interact. energy: -0.628 local terms energy: -168.320455 where: bonds (distance) C4'-P energy: -65.499 bonds (distance) P-C4' energy: -52.586 flat angles C4'-P-C4' energy: -49.164 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: 1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -272.680925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.680925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.680925 (E_RNA) where: Base-Base interactions energy: -84.588 where: short stacking energy: -70.350 Base-Backbone interact. energy: 0.998 local terms energy: -189.091341 where: bonds (distance) C4'-P energy: -50.862 bonds (distance) P-C4' energy: -54.915 flat angles C4'-P-C4' energy: -46.235 flat angles P-C4'-P energy: -33.176 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1054.021287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.021287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.021287 (E_RNA) where: Base-Base interactions energy: -720.204 where: short stacking energy: -317.856 Base-Backbone interact. energy: -1.564 local terms energy: -332.253270 where: bonds (distance) C4'-P energy: -61.027 bonds (distance) P-C4' energy: -60.839 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: -86.551 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: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -992.440255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.440255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.440255 (E_RNA) where: Base-Base interactions energy: -666.556 where: short stacking energy: -280.766 Base-Backbone interact. energy: -1.981 local terms energy: -323.904136 where: bonds (distance) C4'-P energy: -67.019 bonds (distance) P-C4' energy: -60.920 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -76.495 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: 230 Temperature: 1.000000 Total energy: -987.033082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.033082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.033082 (E_RNA) where: Base-Base interactions energy: -672.687 where: short stacking energy: -296.183 Base-Backbone interact. energy: -1.647 local terms energy: -312.699457 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -51.537 flat angles C4'-P-C4' energy: -66.350 flat angles P-C4'-P energy: -49.394 tors. eta vs tors. theta energy: -84.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -891.507068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.507068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.507068 (E_RNA) where: Base-Base interactions energy: -574.958 where: short stacking energy: -256.677 Base-Backbone interact. energy: -0.512 local terms energy: -316.037927 where: bonds (distance) C4'-P energy: -69.712 bonds (distance) P-C4' energy: -66.382 flat angles C4'-P-C4' energy: -67.990 flat angles P-C4'-P energy: -37.926 tors. eta vs tors. theta energy: -74.029 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: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -887.936062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.936062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.936062 (E_RNA) where: Base-Base interactions energy: -595.844 where: short stacking energy: -257.251 Base-Backbone interact. energy: -0.038 local terms energy: -292.054657 where: bonds (distance) C4'-P energy: -51.174 bonds (distance) P-C4' energy: -65.281 flat angles C4'-P-C4' energy: -63.523 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -74.041 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: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -691.628407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.628407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.628407 (E_RNA) where: Base-Base interactions energy: -426.013 where: short stacking energy: -197.147 Base-Backbone interact. energy: -1.672 local terms energy: -263.943568 where: bonds (distance) C4'-P energy: -60.473 bonds (distance) P-C4' energy: -53.010 flat angles C4'-P-C4' energy: -56.706 flat angles P-C4'-P energy: -49.040 tors. eta vs tors. theta energy: -44.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -621.125376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.125376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.125376 (E_RNA) where: Base-Base interactions energy: -387.507 where: short stacking energy: -172.655 Base-Backbone interact. energy: -2.557 local terms energy: -231.062173 where: bonds (distance) C4'-P energy: -56.447 bonds (distance) P-C4' energy: -46.583 flat angles C4'-P-C4' energy: -54.755 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -36.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -591.813386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.813386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.813386 (E_RNA) where: Base-Base interactions energy: -360.076 where: short stacking energy: -177.572 Base-Backbone interact. energy: -0.761 local terms energy: -230.976510 where: bonds (distance) C4'-P energy: -48.676 bonds (distance) P-C4' energy: -61.296 flat angles C4'-P-C4' energy: -54.750 flat angles P-C4'-P energy: -29.630 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: 9, replica: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -324.874476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.874476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.874476 (E_RNA) where: Base-Base interactions energy: -153.855 where: short stacking energy: -103.654 Base-Backbone interact. energy: 3.885 local terms energy: -174.904441 where: bonds (distance) C4'-P energy: -51.185 bonds (distance) P-C4' energy: -58.538 flat angles C4'-P-C4' energy: -38.509 flat angles P-C4'-P energy: -36.146 tors. eta vs tors. theta energy: 9.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -258.440220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.440220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.440220 (E_RNA) where: Base-Base interactions energy: -103.542 where: short stacking energy: -84.391 Base-Backbone interact. energy: 3.611 local terms energy: -158.509950 where: bonds (distance) C4'-P energy: -49.714 bonds (distance) P-C4' energy: -45.383 flat angles C4'-P-C4' energy: -39.247 flat angles P-C4'-P energy: -25.538 tors. eta vs tors. theta energy: 1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1058.742420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.742420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.742420 (E_RNA) where: Base-Base interactions energy: -709.506 where: short stacking energy: -307.879 Base-Backbone interact. energy: -0.542 local terms energy: -348.694655 where: bonds (distance) C4'-P energy: -69.045 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -81.531 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -84.341 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: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1031.433588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.433588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.433588 (E_RNA) where: Base-Base interactions energy: -704.854 where: short stacking energy: -314.227 Base-Backbone interact. energy: 1.349 local terms energy: -327.928694 where: bonds (distance) C4'-P energy: -64.387 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -64.696 flat angles P-C4'-P energy: -54.340 tors. eta vs tors. theta energy: -89.869 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: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -946.599588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.599588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.599588 (E_RNA) where: Base-Base interactions energy: -656.804 where: short stacking energy: -277.300 Base-Backbone interact. energy: -0.652 local terms energy: -289.142956 where: bonds (distance) C4'-P energy: -47.493 bonds (distance) P-C4' energy: -71.039 flat angles C4'-P-C4' energy: -65.618 flat angles P-C4'-P energy: -39.893 tors. eta vs tors. theta energy: -65.100 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: -928.746747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.746747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.746747 (E_RNA) where: Base-Base interactions energy: -621.239 where: short stacking energy: -271.221 Base-Backbone interact. energy: -0.662 local terms energy: -306.845381 where: bonds (distance) C4'-P energy: -47.855 bonds (distance) P-C4' energy: -58.541 flat angles C4'-P-C4' energy: -68.582 flat angles P-C4'-P energy: -50.202 tors. eta vs tors. theta energy: -81.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -817.426526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.426526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.426526 (E_RNA) where: Base-Base interactions energy: -513.648 where: short stacking energy: -243.383 Base-Backbone interact. energy: -0.544 local terms energy: -303.235024 where: bonds (distance) C4'-P energy: -58.442 bonds (distance) P-C4' energy: -59.615 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -72.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -669.208498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.208498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.208498 (E_RNA) where: Base-Base interactions energy: -425.903 where: short stacking energy: -209.891 Base-Backbone interact. energy: -1.876 local terms energy: -241.429685 where: bonds (distance) C4'-P energy: -59.603 bonds (distance) P-C4' energy: -50.072 flat angles C4'-P-C4' energy: -55.231 flat angles P-C4'-P energy: -29.880 tors. eta vs tors. theta energy: -46.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -610.842591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.842591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.842591 (E_RNA) where: Base-Base interactions energy: -388.822 where: short stacking energy: -151.840 Base-Backbone interact. energy: 0.931 local terms energy: -222.951835 where: bonds (distance) C4'-P energy: -54.561 bonds (distance) P-C4' energy: -58.442 flat angles C4'-P-C4' energy: -49.760 flat angles P-C4'-P energy: -26.928 tors. eta vs tors. theta energy: -33.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -579.894737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.894737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.894737 (E_RNA) where: Base-Base interactions energy: -358.723 where: short stacking energy: -174.354 Base-Backbone interact. energy: 0.448 local terms energy: -221.619445 where: bonds (distance) C4'-P energy: -37.561 bonds (distance) P-C4' energy: -54.393 flat angles C4'-P-C4' energy: -56.995 flat angles P-C4'-P energy: -33.044 tors. eta vs tors. theta energy: -39.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -322.494072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.494072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.494072 (E_RNA) where: Base-Base interactions energy: -145.190 where: short stacking energy: -97.547 Base-Backbone interact. energy: -1.614 local terms energy: -175.690559 where: bonds (distance) C4'-P energy: -55.209 bonds (distance) P-C4' energy: -51.272 flat angles C4'-P-C4' energy: -48.895 flat angles P-C4'-P energy: -23.237 tors. eta vs tors. theta energy: 2.922 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: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -272.667649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.667649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.667649 (E_RNA) where: Base-Base interactions energy: -86.027 where: short stacking energy: -73.628 Base-Backbone interact. energy: 0.214 local terms energy: -186.854206 where: bonds (distance) C4'-P energy: -69.286 bonds (distance) P-C4' energy: -53.608 flat angles C4'-P-C4' energy: -46.431 flat angles P-C4'-P energy: -34.190 tors. eta vs tors. theta energy: 16.661 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: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1059.863782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.863782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.863782 (E_RNA) where: Base-Base interactions energy: -728.120 where: short stacking energy: -315.711 Base-Backbone interact. energy: -1.125 local terms energy: -330.618804 where: bonds (distance) C4'-P energy: -62.902 bonds (distance) P-C4' energy: -62.795 flat angles C4'-P-C4' energy: -67.650 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -83.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1023.602364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.602364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.602364 (E_RNA) where: Base-Base interactions energy: -695.992 where: short stacking energy: -311.910 Base-Backbone interact. energy: -1.285 local terms energy: -326.325413 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -69.934 flat angles C4'-P-C4' energy: -71.993 flat angles P-C4'-P energy: -32.157 tors. eta vs tors. theta energy: -92.370 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: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -965.060870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.060870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.060870 (E_RNA) where: Base-Base interactions energy: -655.119 where: short stacking energy: -285.683 Base-Backbone interact. energy: 0.044 local terms energy: -309.985834 where: bonds (distance) C4'-P energy: -52.987 bonds (distance) P-C4' energy: -73.210 flat angles C4'-P-C4' energy: -59.671 flat angles P-C4'-P energy: -48.784 tors. eta vs tors. theta energy: -75.333 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: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -910.102349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.102349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.102349 (E_RNA) where: Base-Base interactions energy: -609.885 where: short stacking energy: -278.781 Base-Backbone interact. energy: -1.338 local terms energy: -298.879596 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -63.491 flat angles C4'-P-C4' energy: -63.731 flat angles P-C4'-P energy: -31.389 tors. eta vs tors. theta energy: -78.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -834.026519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.026519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.026519 (E_RNA) where: Base-Base interactions energy: -538.322 where: short stacking energy: -237.457 Base-Backbone interact. energy: -1.173 local terms energy: -294.531420 where: bonds (distance) C4'-P energy: -58.564 bonds (distance) P-C4' energy: -61.102 flat angles C4'-P-C4' energy: -67.665 flat angles P-C4'-P energy: -40.567 tors. eta vs tors. theta energy: -66.634 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: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -707.874642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.874642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.874642 (E_RNA) where: Base-Base interactions energy: -450.616 where: short stacking energy: -226.125 Base-Backbone interact. energy: 0.285 local terms energy: -257.543500 where: bonds (distance) C4'-P energy: -51.873 bonds (distance) P-C4' energy: -57.991 flat angles C4'-P-C4' energy: -58.131 flat angles P-C4'-P energy: -41.463 tors. eta vs tors. theta energy: -48.085 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: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -648.103231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.103231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.103231 (E_RNA) where: Base-Base interactions energy: -403.292 where: short stacking energy: -193.816 Base-Backbone interact. energy: -1.469 local terms energy: -243.342303 where: bonds (distance) C4'-P energy: -49.386 bonds (distance) P-C4' energy: -55.609 flat angles C4'-P-C4' energy: -55.280 flat angles P-C4'-P energy: -38.661 tors. eta vs tors. theta energy: -44.406 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: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -586.650556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.650556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.650556 (E_RNA) where: Base-Base interactions energy: -369.942 where: short stacking energy: -163.932 Base-Backbone interact. energy: 2.885 local terms energy: -219.593762 where: bonds (distance) C4'-P energy: -59.967 bonds (distance) P-C4' energy: -41.703 flat angles C4'-P-C4' energy: -55.960 flat angles P-C4'-P energy: -33.667 tors. eta vs tors. theta energy: -28.296 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: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -315.226047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.226047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.226047 (E_RNA) where: Base-Base interactions energy: -133.201 where: short stacking energy: -90.924 Base-Backbone interact. energy: 0.810 local terms energy: -182.834767 where: bonds (distance) C4'-P energy: -42.383 bonds (distance) P-C4' energy: -69.183 flat angles C4'-P-C4' energy: -45.712 flat angles P-C4'-P energy: -28.309 tors. eta vs tors. theta energy: 2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -265.884412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.884412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.884412 (E_RNA) where: Base-Base interactions energy: -106.573 where: short stacking energy: -67.462 Base-Backbone interact. energy: 0.416 local terms energy: -159.727293 where: bonds (distance) C4'-P energy: -50.940 bonds (distance) P-C4' energy: -51.838 flat angles C4'-P-C4' energy: -37.526 flat angles P-C4'-P energy: -26.964 tors. eta vs tors. theta energy: 7.541 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: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1060.407192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.407192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.407192 (E_RNA) where: Base-Base interactions energy: -723.467 where: short stacking energy: -320.019 Base-Backbone interact. energy: -0.091 local terms energy: -336.849598 where: bonds (distance) C4'-P energy: -57.374 bonds (distance) P-C4' energy: -66.511 flat angles C4'-P-C4' energy: -75.932 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: -85.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1046.696510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.696510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.696510 (E_RNA) where: Base-Base interactions energy: -697.736 where: short stacking energy: -331.432 Base-Backbone interact. energy: -0.832 local terms energy: -348.128617 where: bonds (distance) C4'-P energy: -70.914 bonds (distance) P-C4' energy: -56.430 flat angles C4'-P-C4' energy: -71.718 flat angles P-C4'-P energy: -50.478 tors. eta vs tors. theta energy: -98.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -944.635717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.635717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.635717 (E_RNA) where: Base-Base interactions energy: -642.125 where: short stacking energy: -265.640 Base-Backbone interact. energy: 1.040 local terms energy: -303.550988 where: bonds (distance) C4'-P energy: -62.478 bonds (distance) P-C4' energy: -65.208 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -44.710 tors. eta vs tors. theta energy: -64.983 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: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -918.778297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.778297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.778297 (E_RNA) where: Base-Base interactions energy: -623.260 where: short stacking energy: -276.050 Base-Backbone interact. energy: 0.472 local terms energy: -295.990387 where: bonds (distance) C4'-P energy: -63.085 bonds (distance) P-C4' energy: -57.791 flat angles C4'-P-C4' energy: -59.901 flat angles P-C4'-P energy: -37.809 tors. eta vs tors. theta energy: -77.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -827.653624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.653624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.653624 (E_RNA) where: Base-Base interactions energy: -547.574 where: short stacking energy: -243.752 Base-Backbone interact. energy: 0.468 local terms energy: -280.547245 where: bonds (distance) C4'-P energy: -53.846 bonds (distance) P-C4' energy: -54.958 flat angles C4'-P-C4' energy: -73.378 flat angles P-C4'-P energy: -35.795 tors. eta vs tors. theta energy: -62.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -697.703313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.703313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.703313 (E_RNA) where: Base-Base interactions energy: -441.379 where: short stacking energy: -185.363 Base-Backbone interact. energy: -1.766 local terms energy: -254.557758 where: bonds (distance) C4'-P energy: -46.532 bonds (distance) P-C4' energy: -64.468 flat angles C4'-P-C4' energy: -65.964 flat angles P-C4'-P energy: -30.624 tors. eta vs tors. theta energy: -46.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -643.732695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.732695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.732695 (E_RNA) where: Base-Base interactions energy: -420.566 where: short stacking energy: -199.689 Base-Backbone interact. energy: 0.417 local terms energy: -223.583894 where: bonds (distance) C4'-P energy: -44.129 bonds (distance) P-C4' energy: -53.991 flat angles C4'-P-C4' energy: -55.759 flat angles P-C4'-P energy: -26.988 tors. eta vs tors. theta energy: -42.717 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: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -576.094816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.094816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.094816 (E_RNA) where: Base-Base interactions energy: -365.822 where: short stacking energy: -174.286 Base-Backbone interact. energy: -0.893 local terms energy: -209.380003 where: bonds (distance) C4'-P energy: -45.230 bonds (distance) P-C4' energy: -57.824 flat angles C4'-P-C4' energy: -40.456 flat angles P-C4'-P energy: -33.055 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: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -359.742003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.742003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.742003 (E_RNA) where: Base-Base interactions energy: -185.412 where: short stacking energy: -103.297 Base-Backbone interact. energy: -1.132 local terms energy: -173.197902 where: bonds (distance) C4'-P energy: -45.627 bonds (distance) P-C4' energy: -38.168 flat angles C4'-P-C4' energy: -57.852 flat angles P-C4'-P energy: -30.181 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -261.407721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.407721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.407721 (E_RNA) where: Base-Base interactions energy: -83.669 where: short stacking energy: -75.307 Base-Backbone interact. energy: -1.208 local terms energy: -176.531594 where: bonds (distance) C4'-P energy: -52.397 bonds (distance) P-C4' energy: -54.349 flat angles C4'-P-C4' energy: -42.903 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: 4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1057.964436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.964436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.964436 (E_RNA) where: Base-Base interactions energy: -725.789 where: short stacking energy: -326.721 Base-Backbone interact. energy: -0.847 local terms energy: -331.329023 where: bonds (distance) C4'-P energy: -63.888 bonds (distance) P-C4' energy: -58.671 flat angles C4'-P-C4' energy: -72.219 flat angles P-C4'-P energy: -44.778 tors. eta vs tors. theta energy: -91.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1033.517787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.517787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.517787 (E_RNA) where: Base-Base interactions energy: -697.477 where: short stacking energy: -310.754 Base-Backbone interact. energy: -1.269 local terms energy: -334.771546 where: bonds (distance) C4'-P energy: -54.263 bonds (distance) P-C4' energy: -73.998 flat angles C4'-P-C4' energy: -68.873 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -91.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -944.248690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.248690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.248690 (E_RNA) where: Base-Base interactions energy: -612.796 where: short stacking energy: -283.560 Base-Backbone interact. energy: -1.061 local terms energy: -330.391431 where: bonds (distance) C4'-P energy: -69.148 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -42.967 tors. eta vs tors. theta energy: -91.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -931.677808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.677808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.677808 (E_RNA) where: Base-Base interactions energy: -638.224 where: short stacking energy: -278.319 Base-Backbone interact. energy: 0.316 local terms energy: -293.769440 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -56.830 flat angles C4'-P-C4' energy: -57.524 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -70.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -845.802732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.802732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.802732 (E_RNA) where: Base-Base interactions energy: -566.910 where: short stacking energy: -262.876 Base-Backbone interact. energy: 0.744 local terms energy: -279.636929 where: bonds (distance) C4'-P energy: -54.939 bonds (distance) P-C4' energy: -50.580 flat angles C4'-P-C4' energy: -70.482 flat angles P-C4'-P energy: -41.566 tors. eta vs tors. theta energy: -62.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -729.733832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.733832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.733832 (E_RNA) where: Base-Base interactions energy: -460.142 where: short stacking energy: -208.200 Base-Backbone interact. energy: -0.646 local terms energy: -268.945513 where: bonds (distance) C4'-P energy: -52.100 bonds (distance) P-C4' energy: -65.102 flat angles C4'-P-C4' energy: -71.515 flat angles P-C4'-P energy: -33.811 tors. eta vs tors. theta energy: -46.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -611.898669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.898669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.898669 (E_RNA) where: Base-Base interactions energy: -371.645 where: short stacking energy: -172.592 Base-Backbone interact. energy: 0.810 local terms energy: -241.063870 where: bonds (distance) C4'-P energy: -62.510 bonds (distance) P-C4' energy: -51.619 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -34.818 tors. eta vs tors. theta energy: -31.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -668.809804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.809804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.809804 (E_RNA) where: Base-Base interactions energy: -408.452 where: short stacking energy: -191.479 Base-Backbone interact. energy: 1.870 local terms energy: -262.227847 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -58.679 flat angles C4'-P-C4' energy: -64.093 flat angles P-C4'-P energy: -44.216 tors. eta vs tors. theta energy: -41.553 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: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -294.743987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.743987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.743987 (E_RNA) where: Base-Base interactions energy: -122.734 where: short stacking energy: -81.991 Base-Backbone interact. energy: 0.524 local terms energy: -172.534093 where: bonds (distance) C4'-P energy: -56.784 bonds (distance) P-C4' energy: -51.950 flat angles C4'-P-C4' energy: -46.266 flat angles P-C4'-P energy: -27.595 tors. eta vs tors. theta energy: 10.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -279.999961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.999961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.999961 (E_RNA) where: Base-Base interactions energy: -103.182 where: short stacking energy: -70.793 Base-Backbone interact. energy: -0.354 local terms energy: -176.463816 where: bonds (distance) C4'-P energy: -63.255 bonds (distance) P-C4' energy: -59.338 flat angles C4'-P-C4' energy: -37.444 flat angles P-C4'-P energy: -23.755 tors. eta vs tors. theta energy: 7.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1068.394625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.394625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.394625 (E_RNA) where: Base-Base interactions energy: -733.861 where: short stacking energy: -323.560 Base-Backbone interact. energy: -0.363 local terms energy: -334.170979 where: bonds (distance) C4'-P energy: -58.618 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -71.615 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -90.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1015.939043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.939043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.939043 (E_RNA) where: Base-Base interactions energy: -691.317 where: short stacking energy: -317.107 Base-Backbone interact. energy: 0.785 local terms energy: -325.407481 where: bonds (distance) C4'-P energy: -56.285 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -72.264 flat angles P-C4'-P energy: -45.675 tors. eta vs tors. theta energy: -90.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -961.450887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.450887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.450887 (E_RNA) where: Base-Base interactions energy: -632.406 where: short stacking energy: -287.699 Base-Backbone interact. energy: -2.283 local terms energy: -326.761905 where: bonds (distance) C4'-P energy: -62.377 bonds (distance) P-C4' energy: -54.616 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -46.826 tors. eta vs tors. theta energy: -85.595 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: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -918.985414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.985414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.985414 (E_RNA) where: Base-Base interactions energy: -624.839 where: short stacking energy: -260.429 Base-Backbone interact. energy: -1.136 local terms energy: -293.010408 where: bonds (distance) C4'-P energy: -55.287 bonds (distance) P-C4' energy: -59.115 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -38.917 tors. eta vs tors. theta energy: -72.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -824.683503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.683503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.683503 (E_RNA) where: Base-Base interactions energy: -539.045 where: short stacking energy: -245.504 Base-Backbone interact. energy: -0.684 local terms energy: -284.954883 where: bonds (distance) C4'-P energy: -51.187 bonds (distance) P-C4' energy: -68.915 flat angles C4'-P-C4' energy: -60.892 flat angles P-C4'-P energy: -45.847 tors. eta vs tors. theta energy: -58.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -709.004740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.004740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.004740 (E_RNA) where: Base-Base interactions energy: -436.224 where: short stacking energy: -199.910 Base-Backbone interact. energy: -0.010 local terms energy: -272.770999 where: bonds (distance) C4'-P energy: -63.676 bonds (distance) P-C4' energy: -58.614 flat angles C4'-P-C4' energy: -57.076 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -55.524 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: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -570.131908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.131908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.131908 (E_RNA) where: Base-Base interactions energy: -326.392 where: short stacking energy: -164.610 Base-Backbone interact. energy: -1.025 local terms energy: -242.714825 where: bonds (distance) C4'-P energy: -61.708 bonds (distance) P-C4' energy: -63.754 flat angles C4'-P-C4' energy: -60.016 flat angles P-C4'-P energy: -26.911 tors. eta vs tors. theta energy: -30.327 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: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -608.376793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.376793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.376793 (E_RNA) where: Base-Base interactions energy: -378.851 where: short stacking energy: -176.045 Base-Backbone interact. energy: -0.140 local terms energy: -229.385867 where: bonds (distance) C4'-P energy: -58.283 bonds (distance) P-C4' energy: -56.434 flat angles C4'-P-C4' energy: -55.009 flat angles P-C4'-P energy: -33.396 tors. eta vs tors. theta energy: -26.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -291.522723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.522723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.522723 (E_RNA) where: Base-Base interactions energy: -91.359 where: short stacking energy: -83.753 Base-Backbone interact. energy: -0.213 local terms energy: -199.951154 where: bonds (distance) C4'-P energy: -55.784 bonds (distance) P-C4' energy: -63.305 flat angles C4'-P-C4' energy: -50.491 flat angles P-C4'-P energy: -29.526 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: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -298.546565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.546565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.546565 (E_RNA) where: Base-Base interactions energy: -104.756 where: short stacking energy: -81.414 Base-Backbone interact. energy: -0.908 local terms energy: -192.882088 where: bonds (distance) C4'-P energy: -51.534 bonds (distance) P-C4' energy: -65.677 flat angles C4'-P-C4' energy: -47.331 flat angles P-C4'-P energy: -36.197 tors. eta vs tors. theta energy: 7.857 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: 9 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1059.587973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.587973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.587973 (E_RNA) where: Base-Base interactions energy: -723.334 where: short stacking energy: -325.355 Base-Backbone interact. energy: -0.627 local terms energy: -335.626722 where: bonds (distance) C4'-P energy: -56.376 bonds (distance) P-C4' energy: -64.475 flat angles C4'-P-C4' energy: -70.302 flat angles P-C4'-P energy: -56.482 tors. eta vs tors. theta energy: -87.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1023.037817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.037817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.037817 (E_RNA) where: Base-Base interactions energy: -718.202 where: short stacking energy: -318.824 Base-Backbone interact. energy: -0.335 local terms energy: -304.500213 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -54.472 flat angles C4'-P-C4' energy: -72.794 flat angles P-C4'-P energy: -37.034 tors. eta vs tors. theta energy: -87.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -968.659377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.659377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.659377 (E_RNA) where: Base-Base interactions energy: -638.033 where: short stacking energy: -292.869 Base-Backbone interact. energy: 0.703 local terms energy: -331.329322 where: bonds (distance) C4'-P energy: -61.803 bonds (distance) P-C4' energy: -66.012 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -91.718 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: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -913.688581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.688581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.688581 (E_RNA) where: Base-Base interactions energy: -617.081 where: short stacking energy: -259.838 Base-Backbone interact. energy: 0.618 local terms energy: -297.226217 where: bonds (distance) C4'-P energy: -55.216 bonds (distance) P-C4' energy: -62.731 flat angles C4'-P-C4' energy: -65.790 flat angles P-C4'-P energy: -49.663 tors. eta vs tors. theta energy: -63.826 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: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -820.349411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.349411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.349411 (E_RNA) where: Base-Base interactions energy: -529.209 where: short stacking energy: -256.816 Base-Backbone interact. energy: -0.117 local terms energy: -291.023097 where: bonds (distance) C4'-P energy: -46.740 bonds (distance) P-C4' energy: -59.850 flat angles C4'-P-C4' energy: -66.057 flat angles P-C4'-P energy: -45.270 tors. eta vs tors. theta energy: -73.106 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: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -697.496403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.496403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.496403 (E_RNA) where: Base-Base interactions energy: -436.248 where: short stacking energy: -219.938 Base-Backbone interact. energy: -1.297 local terms energy: -259.952030 where: bonds (distance) C4'-P energy: -47.061 bonds (distance) P-C4' energy: -53.133 flat angles C4'-P-C4' energy: -66.235 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -51.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -569.050342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.050342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.050342 (E_RNA) where: Base-Base interactions energy: -326.298 where: short stacking energy: -164.030 Base-Backbone interact. energy: -0.851 local terms energy: -241.900901 where: bonds (distance) C4'-P energy: -58.845 bonds (distance) P-C4' energy: -57.648 flat angles C4'-P-C4' energy: -46.411 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -33.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -558.194882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.194882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.194882 (E_RNA) where: Base-Base interactions energy: -346.478 where: short stacking energy: -172.286 Base-Backbone interact. energy: -0.657 local terms energy: -211.058974 where: bonds (distance) C4'-P energy: -39.658 bonds (distance) P-C4' energy: -62.127 flat angles C4'-P-C4' energy: -50.275 flat angles P-C4'-P energy: -31.096 tors. eta vs tors. theta energy: -27.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -303.708623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.708623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.708623 (E_RNA) where: Base-Base interactions energy: -115.286 where: short stacking energy: -105.492 Base-Backbone interact. energy: -0.258 local terms energy: -188.165146 where: bonds (distance) C4'-P energy: -46.425 bonds (distance) P-C4' energy: -49.068 flat angles C4'-P-C4' energy: -48.288 flat angles P-C4'-P energy: -26.784 tors. eta vs tors. theta energy: -17.600 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: 10, replica: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -276.233879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.233879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.233879 (E_RNA) where: Base-Base interactions energy: -79.166 where: short stacking energy: -58.993 Base-Backbone interact. energy: -2.460 local terms energy: -194.607374 where: bonds (distance) C4'-P energy: -69.110 bonds (distance) P-C4' energy: -58.672 flat angles C4'-P-C4' energy: -47.731 flat angles P-C4'-P energy: -37.463 tors. eta vs tors. theta energy: 18.368 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: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1060.713814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.713814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.713814 (E_RNA) where: Base-Base interactions energy: -730.621 where: short stacking energy: -322.968 Base-Backbone interact. energy: -2.557 local terms energy: -327.535510 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -64.611 flat angles C4'-P-C4' energy: -74.960 flat angles P-C4'-P energy: -49.051 tors. eta vs tors. theta energy: -82.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -996.633853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.633853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.633853 (E_RNA) where: Base-Base interactions energy: -681.610 where: short stacking energy: -300.452 Base-Backbone interact. energy: -0.190 local terms energy: -314.833897 where: bonds (distance) C4'-P energy: -45.644 bonds (distance) P-C4' energy: -66.893 flat angles C4'-P-C4' energy: -65.079 flat angles P-C4'-P energy: -51.169 tors. eta vs tors. theta energy: -86.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -993.313601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.313601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.313601 (E_RNA) where: Base-Base interactions energy: -674.743 where: short stacking energy: -303.791 Base-Backbone interact. energy: -2.384 local terms energy: -316.186311 where: bonds (distance) C4'-P energy: -61.312 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -67.906 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -84.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -967.673872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.673872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.673872 (E_RNA) where: Base-Base interactions energy: -677.687 where: short stacking energy: -286.795 Base-Backbone interact. energy: -0.181 local terms energy: -289.806564 where: bonds (distance) C4'-P energy: -56.051 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -66.612 flat angles P-C4'-P energy: -41.021 tors. eta vs tors. theta energy: -71.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -835.525641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.525641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.525641 (E_RNA) where: Base-Base interactions energy: -529.271 where: short stacking energy: -254.828 Base-Backbone interact. energy: -0.615 local terms energy: -305.640188 where: bonds (distance) C4'-P energy: -56.968 bonds (distance) P-C4' energy: -63.801 flat angles C4'-P-C4' energy: -68.972 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -73.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -701.508962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.508962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.508962 (E_RNA) where: Base-Base interactions energy: -422.804 where: short stacking energy: -232.817 Base-Backbone interact. energy: -1.423 local terms energy: -277.281247 where: bonds (distance) C4'-P energy: -52.355 bonds (distance) P-C4' energy: -61.206 flat angles C4'-P-C4' energy: -67.173 flat angles P-C4'-P energy: -40.108 tors. eta vs tors. theta energy: -56.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -599.629429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.629429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.629429 (E_RNA) where: Base-Base interactions energy: -360.630 where: short stacking energy: -174.603 Base-Backbone interact. energy: -2.175 local terms energy: -236.823833 where: bonds (distance) C4'-P energy: -47.774 bonds (distance) P-C4' energy: -64.868 flat angles C4'-P-C4' energy: -43.774 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: -37.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -590.902390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.902390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.902390 (E_RNA) where: Base-Base interactions energy: -348.404 where: short stacking energy: -178.386 Base-Backbone interact. energy: -0.710 local terms energy: -241.788425 where: bonds (distance) C4'-P energy: -59.510 bonds (distance) P-C4' energy: -51.909 flat angles C4'-P-C4' energy: -54.314 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -37.236 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: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -294.907402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.907402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.907402 (E_RNA) where: Base-Base interactions energy: -107.790 where: short stacking energy: -96.565 Base-Backbone interact. energy: 0.233 local terms energy: -187.350416 where: bonds (distance) C4'-P energy: -46.129 bonds (distance) P-C4' energy: -53.502 flat angles C4'-P-C4' energy: -54.690 flat angles P-C4'-P energy: -29.835 tors. eta vs tors. theta energy: -3.194 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: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -304.366769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.366769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.366769 (E_RNA) where: Base-Base interactions energy: -110.468 where: short stacking energy: -71.246 Base-Backbone interact. energy: -1.245 local terms energy: -192.653833 where: bonds (distance) C4'-P energy: -52.861 bonds (distance) P-C4' energy: -60.289 flat angles C4'-P-C4' energy: -39.769 flat angles P-C4'-P energy: -26.868 tors. eta vs tors. theta energy: -12.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1085.257922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.257922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.257922 (E_RNA) where: Base-Base interactions energy: -745.995 where: short stacking energy: -331.789 Base-Backbone interact. energy: -1.216 local terms energy: -338.046959 where: bonds (distance) C4'-P energy: -63.129 bonds (distance) P-C4' energy: -63.899 flat angles C4'-P-C4' energy: -79.576 flat angles P-C4'-P energy: -42.128 tors. eta vs tors. theta energy: -89.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -988.300432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.300432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.300432 (E_RNA) where: Base-Base interactions energy: -685.143 where: short stacking energy: -298.208 Base-Backbone interact. energy: -1.662 local terms energy: -301.495654 where: bonds (distance) C4'-P energy: -54.615 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -69.167 flat angles P-C4'-P energy: -35.755 tors. eta vs tors. theta energy: -80.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1000.915189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.915189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.915189 (E_RNA) where: Base-Base interactions energy: -674.084 where: short stacking energy: -315.427 Base-Backbone interact. energy: -1.685 local terms energy: -325.146295 where: bonds (distance) C4'-P energy: -50.030 bonds (distance) P-C4' energy: -64.807 flat angles C4'-P-C4' energy: -66.787 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -92.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -948.817992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.817992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.817992 (E_RNA) where: Base-Base interactions energy: -642.931 where: short stacking energy: -284.701 Base-Backbone interact. energy: 2.022 local terms energy: -307.909174 where: bonds (distance) C4'-P energy: -63.948 bonds (distance) P-C4' energy: -60.295 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -44.229 tors. eta vs tors. theta energy: -78.161 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: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -804.538881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.538881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.538881 (E_RNA) where: Base-Base interactions energy: -495.115 where: short stacking energy: -239.697 Base-Backbone interact. energy: -1.742 local terms energy: -307.681448 where: bonds (distance) C4'-P energy: -63.679 bonds (distance) P-C4' energy: -57.920 flat angles C4'-P-C4' energy: -71.020 flat angles P-C4'-P energy: -42.606 tors. eta vs tors. theta energy: -72.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -714.513944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.513944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.513944 (E_RNA) where: Base-Base interactions energy: -466.160 where: short stacking energy: -223.575 Base-Backbone interact. energy: -1.971 local terms energy: -246.382905 where: bonds (distance) C4'-P energy: -45.573 bonds (distance) P-C4' energy: -53.728 flat angles C4'-P-C4' energy: -61.806 flat angles P-C4'-P energy: -30.182 tors. eta vs tors. theta energy: -55.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -572.515879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.515879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.515879 (E_RNA) where: Base-Base interactions energy: -329.683 where: short stacking energy: -167.434 Base-Backbone interact. energy: -1.442 local terms energy: -241.391037 where: bonds (distance) C4'-P energy: -62.248 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -51.900 flat angles P-C4'-P energy: -35.602 tors. eta vs tors. theta energy: -32.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -587.124649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.124649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.124649 (E_RNA) where: Base-Base interactions energy: -352.511 where: short stacking energy: -142.342 Base-Backbone interact. energy: -2.644 local terms energy: -231.968813 where: bonds (distance) C4'-P energy: -52.858 bonds (distance) P-C4' energy: -62.722 flat angles C4'-P-C4' energy: -47.108 flat angles P-C4'-P energy: -44.877 tors. eta vs tors. theta energy: -24.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -325.573501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.573501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.573501 (E_RNA) where: Base-Base interactions energy: -145.602 where: short stacking energy: -96.263 Base-Backbone interact. energy: -1.329 local terms energy: -178.641858 where: bonds (distance) C4'-P energy: -49.707 bonds (distance) P-C4' energy: -64.103 flat angles C4'-P-C4' energy: -34.765 flat angles P-C4'-P energy: -31.368 tors. eta vs tors. theta energy: 1.301 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: 238 Temperature: 1.350000 Total energy: -309.998811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.998811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.998811 (E_RNA) where: Base-Base interactions energy: -115.211 where: short stacking energy: -102.428 Base-Backbone interact. energy: -0.529 local terms energy: -194.258584 where: bonds (distance) C4'-P energy: -53.881 bonds (distance) P-C4' energy: -53.632 flat angles C4'-P-C4' energy: -45.083 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -5.414 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: 1, replica: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1076.371081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.371081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.371081 (E_RNA) where: Base-Base interactions energy: -728.102 where: short stacking energy: -326.625 Base-Backbone interact. energy: -2.208 local terms energy: -346.061300 where: bonds (distance) C4'-P energy: -61.113 bonds (distance) P-C4' energy: -70.933 flat angles C4'-P-C4' energy: -74.144 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -86.172 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: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1018.453096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.453096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.453096 (E_RNA) where: Base-Base interactions energy: -694.334 where: short stacking energy: -315.206 Base-Backbone interact. energy: -0.190 local terms energy: -323.929124 where: bonds (distance) C4'-P energy: -53.884 bonds (distance) P-C4' energy: -69.391 flat angles C4'-P-C4' energy: -66.553 flat angles P-C4'-P energy: -44.383 tors. eta vs tors. theta energy: -89.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -959.050765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.050765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.050765 (E_RNA) where: Base-Base interactions energy: -622.680 where: short stacking energy: -294.451 Base-Backbone interact. energy: 0.078 local terms energy: -336.449038 where: bonds (distance) C4'-P energy: -62.720 bonds (distance) P-C4' energy: -69.976 flat angles C4'-P-C4' energy: -70.440 flat angles P-C4'-P energy: -51.193 tors. eta vs tors. theta energy: -82.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -948.890174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.890174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.890174 (E_RNA) where: Base-Base interactions energy: -648.260 where: short stacking energy: -270.859 Base-Backbone interact. energy: -3.363 local terms energy: -297.267424 where: bonds (distance) C4'-P energy: -64.071 bonds (distance) P-C4' energy: -59.345 flat angles C4'-P-C4' energy: -65.764 flat angles P-C4'-P energy: -41.887 tors. eta vs tors. theta energy: -66.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -803.756489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.756489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.756489 (E_RNA) where: Base-Base interactions energy: -520.142 where: short stacking energy: -228.181 Base-Backbone interact. energy: -1.033 local terms energy: -282.581533 where: bonds (distance) C4'-P energy: -60.767 bonds (distance) P-C4' energy: -45.208 flat angles C4'-P-C4' energy: -67.457 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -61.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -731.977756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.977756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.977756 (E_RNA) where: Base-Base interactions energy: -454.233 where: short stacking energy: -206.055 Base-Backbone interact. energy: -0.677 local terms energy: -277.068018 where: bonds (distance) C4'-P energy: -48.883 bonds (distance) P-C4' energy: -63.019 flat angles C4'-P-C4' energy: -64.119 flat angles P-C4'-P energy: -44.486 tors. eta vs tors. theta energy: -56.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -598.615681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.615681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.615681 (E_RNA) where: Base-Base interactions energy: -348.012 where: short stacking energy: -158.659 Base-Backbone interact. energy: -1.255 local terms energy: -249.348713 where: bonds (distance) C4'-P energy: -53.400 bonds (distance) P-C4' energy: -59.917 flat angles C4'-P-C4' energy: -54.818 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -36.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -493.720219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.720219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.720219 (E_RNA) where: Base-Base interactions energy: -276.750 where: short stacking energy: -138.839 Base-Backbone interact. energy: 3.688 local terms energy: -220.657469 where: bonds (distance) C4'-P energy: -48.281 bonds (distance) P-C4' energy: -65.417 flat angles C4'-P-C4' energy: -58.465 flat angles P-C4'-P energy: -31.708 tors. eta vs tors. theta energy: -16.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -319.609847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.609847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.609847 (E_RNA) where: Base-Base interactions energy: -139.073 where: short stacking energy: -94.101 Base-Backbone interact. energy: -0.606 local terms energy: -179.930886 where: bonds (distance) C4'-P energy: -53.736 bonds (distance) P-C4' energy: -69.884 flat angles C4'-P-C4' energy: -39.700 flat angles P-C4'-P energy: -24.645 tors. eta vs tors. theta energy: 8.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -286.982423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.982423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.982423 (E_RNA) where: Base-Base interactions energy: -93.732 where: short stacking energy: -59.284 Base-Backbone interact. energy: -0.671 local terms energy: -192.579943 where: bonds (distance) C4'-P energy: -60.357 bonds (distance) P-C4' energy: -61.615 flat angles C4'-P-C4' energy: -46.255 flat angles P-C4'-P energy: -33.708 tors. eta vs tors. theta energy: 9.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1051.784598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.784598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.784598 (E_RNA) where: Base-Base interactions energy: -723.828 where: short stacking energy: -305.540 Base-Backbone interact. energy: -2.560 local terms energy: -325.396960 where: bonds (distance) C4'-P energy: -56.268 bonds (distance) P-C4' energy: -72.022 flat angles C4'-P-C4' energy: -71.163 flat angles P-C4'-P energy: -47.171 tors. eta vs tors. theta energy: -78.772 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: 240 Temperature: 0.950000 Total energy: -1019.805769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.805769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.805769 (E_RNA) where: Base-Base interactions energy: -683.415 where: short stacking energy: -302.706 Base-Backbone interact. energy: -4.467 local terms energy: -331.923965 where: bonds (distance) C4'-P energy: -57.996 bonds (distance) P-C4' energy: -59.339 flat angles C4'-P-C4' energy: -71.978 flat angles P-C4'-P energy: -49.637 tors. eta vs tors. theta energy: -92.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -957.842603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.842603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.842603 (E_RNA) where: Base-Base interactions energy: -631.622 where: short stacking energy: -312.034 Base-Backbone interact. energy: -2.147 local terms energy: -324.073880 where: bonds (distance) C4'-P energy: -55.872 bonds (distance) P-C4' energy: -74.592 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -40.275 tors. eta vs tors. theta energy: -82.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -929.735579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.735579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.735579 (E_RNA) where: Base-Base interactions energy: -633.425 where: short stacking energy: -281.155 Base-Backbone interact. energy: -0.236 local terms energy: -296.075274 where: bonds (distance) C4'-P energy: -54.754 bonds (distance) P-C4' energy: -55.476 flat angles C4'-P-C4' energy: -68.682 flat angles P-C4'-P energy: -41.429 tors. eta vs tors. theta energy: -75.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -766.034467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.034467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.034467 (E_RNA) where: Base-Base interactions energy: -486.078 where: short stacking energy: -226.527 Base-Backbone interact. energy: -1.088 local terms energy: -278.868999 where: bonds (distance) C4'-P energy: -52.820 bonds (distance) P-C4' energy: -57.625 flat angles C4'-P-C4' energy: -61.816 flat angles P-C4'-P energy: -49.645 tors. eta vs tors. theta energy: -56.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -755.961206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.961206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.961206 (E_RNA) where: Base-Base interactions energy: -492.753 where: short stacking energy: -211.113 Base-Backbone interact. energy: -1.824 local terms energy: -261.384246 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -56.430 flat angles C4'-P-C4' energy: -61.391 flat angles P-C4'-P energy: -34.380 tors. eta vs tors. theta energy: -46.855 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: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -637.071920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.071920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.071920 (E_RNA) where: Base-Base interactions energy: -375.102 where: short stacking energy: -184.097 Base-Backbone interact. energy: -2.016 local terms energy: -259.953819 where: bonds (distance) C4'-P energy: -67.282 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -58.138 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -31.164 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: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -510.091473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.091473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.091473 (E_RNA) where: Base-Base interactions energy: -294.612 where: short stacking energy: -163.394 Base-Backbone interact. energy: 0.677 local terms energy: -216.156815 where: bonds (distance) C4'-P energy: -50.011 bonds (distance) P-C4' energy: -52.093 flat angles C4'-P-C4' energy: -49.844 flat angles P-C4'-P energy: -43.355 tors. eta vs tors. theta energy: -20.854 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: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -293.962278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.962278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.962278 (E_RNA) where: Base-Base interactions energy: -119.814 where: short stacking energy: -97.894 Base-Backbone interact. energy: -1.526 local terms energy: -172.621459 where: bonds (distance) C4'-P energy: -44.295 bonds (distance) P-C4' energy: -61.536 flat angles C4'-P-C4' energy: -44.401 flat angles P-C4'-P energy: -25.522 tors. eta vs tors. theta energy: 3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -300.027372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.027372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.027372 (E_RNA) where: Base-Base interactions energy: -124.975 where: short stacking energy: -84.574 Base-Backbone interact. energy: 2.693 local terms energy: -177.745537 where: bonds (distance) C4'-P energy: -48.646 bonds (distance) P-C4' energy: -53.927 flat angles C4'-P-C4' energy: -45.778 flat angles P-C4'-P energy: -33.143 tors. eta vs tors. theta energy: 3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1066.702076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.702076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.702076 (E_RNA) where: Base-Base interactions energy: -734.380 where: short stacking energy: -313.983 Base-Backbone interact. energy: -2.472 local terms energy: -329.849964 where: bonds (distance) C4'-P energy: -60.141 bonds (distance) P-C4' energy: -69.614 flat angles C4'-P-C4' energy: -66.808 flat angles P-C4'-P energy: -46.307 tors. eta vs tors. theta energy: -86.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1023.266753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.266753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.266753 (E_RNA) where: Base-Base interactions energy: -676.391 where: short stacking energy: -289.481 Base-Backbone interact. energy: 0.632 local terms energy: -347.507012 where: bonds (distance) C4'-P energy: -67.126 bonds (distance) P-C4' energy: -69.099 flat angles C4'-P-C4' energy: -73.908 flat angles P-C4'-P energy: -49.905 tors. eta vs tors. theta energy: -87.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -954.903150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.903150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.903150 (E_RNA) where: Base-Base interactions energy: -637.876 where: short stacking energy: -311.901 Base-Backbone interact. energy: 0.383 local terms energy: -317.410017 where: bonds (distance) C4'-P energy: -57.702 bonds (distance) P-C4' energy: -57.921 flat angles C4'-P-C4' energy: -70.076 flat angles P-C4'-P energy: -45.271 tors. eta vs tors. theta energy: -86.441 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: 241 Temperature: 1.050000 Total energy: -925.699957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.699957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.699957 (E_RNA) where: Base-Base interactions energy: -612.342 where: short stacking energy: -263.101 Base-Backbone interact. energy: -0.220 local terms energy: -313.138154 where: bonds (distance) C4'-P energy: -65.007 bonds (distance) P-C4' energy: -68.430 flat angles C4'-P-C4' energy: -64.895 flat angles P-C4'-P energy: -40.728 tors. eta vs tors. theta energy: -74.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -776.478773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.478773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.478773 (E_RNA) where: Base-Base interactions energy: -471.724 where: short stacking energy: -231.921 Base-Backbone interact. energy: 0.590 local terms energy: -305.344926 where: bonds (distance) C4'-P energy: -67.961 bonds (distance) P-C4' energy: -60.109 flat angles C4'-P-C4' energy: -65.260 flat angles P-C4'-P energy: -45.215 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: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -780.147883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.147883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.147883 (E_RNA) where: Base-Base interactions energy: -528.332 where: short stacking energy: -252.494 Base-Backbone interact. energy: -1.004 local terms energy: -250.812097 where: bonds (distance) C4'-P energy: -39.123 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -65.680 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -57.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -623.826408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.826408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.826408 (E_RNA) where: Base-Base interactions energy: -399.983 where: short stacking energy: -176.388 Base-Backbone interact. energy: 9.458 local terms energy: -233.301581 where: bonds (distance) C4'-P energy: -65.322 bonds (distance) P-C4' energy: -54.698 flat angles C4'-P-C4' energy: -53.450 flat angles P-C4'-P energy: -28.413 tors. eta vs tors. theta energy: -31.419 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: 241 Temperature: 1.250000 Total energy: -490.304089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.304089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.304089 (E_RNA) where: Base-Base interactions energy: -284.418 where: short stacking energy: -132.704 Base-Backbone interact. energy: -1.981 local terms energy: -203.905745 where: bonds (distance) C4'-P energy: -55.381 bonds (distance) P-C4' energy: -63.035 flat angles C4'-P-C4' energy: -49.525 flat angles P-C4'-P energy: -15.888 tors. eta vs tors. theta energy: -20.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -316.521821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.521821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.521821 (E_RNA) where: Base-Base interactions energy: -138.648 where: short stacking energy: -109.497 Base-Backbone interact. energy: -0.662 local terms energy: -177.212432 where: bonds (distance) C4'-P energy: -54.026 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -45.810 flat angles P-C4'-P energy: -16.612 tors. eta vs tors. theta energy: -2.549 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: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -282.615602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.615602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.615602 (E_RNA) where: Base-Base interactions energy: -113.353 where: short stacking energy: -68.651 Base-Backbone interact. energy: 2.046 local terms energy: -171.309240 where: bonds (distance) C4'-P energy: -60.814 bonds (distance) P-C4' energy: -56.305 flat angles C4'-P-C4' energy: -40.159 flat angles P-C4'-P energy: -25.741 tors. eta vs tors. theta energy: 11.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1030.691059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.691059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.691059 (E_RNA) where: Base-Base interactions energy: -692.228 where: short stacking energy: -294.508 Base-Backbone interact. energy: 1.192 local terms energy: -339.655807 where: bonds (distance) C4'-P energy: -58.241 bonds (distance) P-C4' energy: -71.093 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -48.369 tors. eta vs tors. theta energy: -88.357 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: 9 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1005.216051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.216051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.216051 (E_RNA) where: Base-Base interactions energy: -684.492 where: short stacking energy: -278.781 Base-Backbone interact. energy: 0.434 local terms energy: -321.157209 where: bonds (distance) C4'-P energy: -59.307 bonds (distance) P-C4' energy: -69.870 flat angles C4'-P-C4' energy: -66.834 flat angles P-C4'-P energy: -48.994 tors. eta vs tors. theta energy: -76.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -957.671206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.671206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.671206 (E_RNA) where: Base-Base interactions energy: -626.867 where: short stacking energy: -287.632 Base-Backbone interact. energy: 0.295 local terms energy: -331.098915 where: bonds (distance) C4'-P energy: -64.434 bonds (distance) P-C4' energy: -64.860 flat angles C4'-P-C4' energy: -73.000 flat angles P-C4'-P energy: -42.908 tors. eta vs tors. theta energy: -85.896 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: 242 Temperature: 1.050000 Total energy: -956.624181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.624181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.624181 (E_RNA) where: Base-Base interactions energy: -654.494 where: short stacking energy: -277.438 Base-Backbone interact. energy: 0.964 local terms energy: -303.094459 where: bonds (distance) C4'-P energy: -63.920 bonds (distance) P-C4' energy: -63.750 flat angles C4'-P-C4' energy: -68.565 flat angles P-C4'-P energy: -41.866 tors. eta vs tors. theta energy: -64.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -818.241684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.241684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.241684 (E_RNA) where: Base-Base interactions energy: -534.959 where: short stacking energy: -258.316 Base-Backbone interact. energy: -1.510 local terms energy: -281.772486 where: bonds (distance) C4'-P energy: -60.235 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -58.996 flat angles P-C4'-P energy: -40.837 tors. eta vs tors. theta energy: -63.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -766.093331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.093331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.093331 (E_RNA) where: Base-Base interactions energy: -489.844 where: short stacking energy: -233.817 Base-Backbone interact. energy: -0.105 local terms energy: -276.143954 where: bonds (distance) C4'-P energy: -54.330 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -59.621 flat angles P-C4'-P energy: -44.534 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: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -664.178017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.178017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.178017 (E_RNA) where: Base-Base interactions energy: -426.266 where: short stacking energy: -192.071 Base-Backbone interact. energy: -1.016 local terms energy: -236.895882 where: bonds (distance) C4'-P energy: -52.316 bonds (distance) P-C4' energy: -58.308 flat angles C4'-P-C4' energy: -45.557 flat angles P-C4'-P energy: -33.448 tors. eta vs tors. theta energy: -47.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -502.816235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.816235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.816235 (E_RNA) where: Base-Base interactions energy: -260.328 where: short stacking energy: -126.988 Base-Backbone interact. energy: -0.772 local terms energy: -241.717037 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -56.027 flat angles C4'-P-C4' energy: -57.714 flat angles P-C4'-P energy: -40.262 tors. eta vs tors. theta energy: -29.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -288.369393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.369393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.369393 (E_RNA) where: Base-Base interactions energy: -100.269 where: short stacking energy: -87.165 Base-Backbone interact. energy: -1.076 local terms energy: -187.024597 where: bonds (distance) C4'-P energy: -62.166 bonds (distance) P-C4' energy: -56.428 flat angles C4'-P-C4' energy: -36.077 flat angles P-C4'-P energy: -35.306 tors. eta vs tors. theta energy: 2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -246.713912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.713912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.713912 (E_RNA) where: Base-Base interactions energy: -79.862 where: short stacking energy: -50.623 Base-Backbone interact. energy: -0.277 local terms energy: -166.574781 where: bonds (distance) C4'-P energy: -56.886 bonds (distance) P-C4' energy: -60.207 flat angles C4'-P-C4' energy: -38.804 flat angles P-C4'-P energy: -31.514 tors. eta vs tors. theta energy: 20.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1059.669470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.669470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.669470 (E_RNA) where: Base-Base interactions energy: -718.423 where: short stacking energy: -307.393 Base-Backbone interact. energy: -1.174 local terms energy: -340.072126 where: bonds (distance) C4'-P energy: -56.608 bonds (distance) P-C4' energy: -62.385 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -52.965 tors. eta vs tors. theta energy: -93.509 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: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1012.812960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.812960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.812960 (E_RNA) where: Base-Base interactions energy: -693.127 where: short stacking energy: -289.979 Base-Backbone interact. energy: -2.385 local terms energy: -317.300897 where: bonds (distance) C4'-P energy: -62.618 bonds (distance) P-C4' energy: -65.448 flat angles C4'-P-C4' energy: -68.064 flat angles P-C4'-P energy: -41.648 tors. eta vs tors. theta energy: -79.522 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: 243 Temperature: 1.000000 Total energy: -969.515926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.515926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.515926 (E_RNA) where: Base-Base interactions energy: -640.384 where: short stacking energy: -292.340 Base-Backbone interact. energy: -0.429 local terms energy: -328.702883 where: bonds (distance) C4'-P energy: -54.759 bonds (distance) P-C4' energy: -73.278 flat angles C4'-P-C4' energy: -62.830 flat angles P-C4'-P energy: -39.090 tors. eta vs tors. theta energy: -98.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -941.725847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.725847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.725847 (E_RNA) where: Base-Base interactions energy: -626.768 where: short stacking energy: -263.821 Base-Backbone interact. energy: -1.468 local terms energy: -313.489658 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -70.964 flat angles C4'-P-C4' energy: -71.530 flat angles P-C4'-P energy: -35.359 tors. eta vs tors. theta energy: -75.333 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -823.267331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.267331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.267331 (E_RNA) where: Base-Base interactions energy: -542.832 where: short stacking energy: -241.932 Base-Backbone interact. energy: -0.826 local terms energy: -279.609505 where: bonds (distance) C4'-P energy: -54.102 bonds (distance) P-C4' energy: -47.176 flat angles C4'-P-C4' energy: -72.157 flat angles P-C4'-P energy: -39.564 tors. eta vs tors. theta energy: -66.610 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: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -753.740819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.740819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.740819 (E_RNA) where: Base-Base interactions energy: -476.993 where: short stacking energy: -223.640 Base-Backbone interact. energy: 1.168 local terms energy: -277.916016 where: bonds (distance) C4'-P energy: -44.267 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -56.084 flat angles P-C4'-P energy: -43.658 tors. eta vs tors. theta energy: -73.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -659.376220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.376220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.376220 (E_RNA) where: Base-Base interactions energy: -422.876 where: short stacking energy: -190.805 Base-Backbone interact. energy: 1.855 local terms energy: -238.355344 where: bonds (distance) C4'-P energy: -49.620 bonds (distance) P-C4' energy: -45.937 flat angles C4'-P-C4' energy: -53.417 flat angles P-C4'-P energy: -53.394 tors. eta vs tors. theta energy: -35.987 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: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -486.276763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.276763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.276763 (E_RNA) where: Base-Base interactions energy: -268.172 where: short stacking energy: -150.512 Base-Backbone interact. energy: -0.002 local terms energy: -218.102140 where: bonds (distance) C4'-P energy: -48.376 bonds (distance) P-C4' energy: -57.547 flat angles C4'-P-C4' energy: -50.270 flat angles P-C4'-P energy: -40.743 tors. eta vs tors. theta energy: -21.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -298.124224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.124224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.124224 (E_RNA) where: Base-Base interactions energy: -121.600 where: short stacking energy: -98.201 Base-Backbone interact. energy: 0.049 local terms energy: -176.573967 where: bonds (distance) C4'-P energy: -49.321 bonds (distance) P-C4' energy: -46.301 flat angles C4'-P-C4' energy: -48.231 flat angles P-C4'-P energy: -30.892 tors. eta vs tors. theta energy: -1.830 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: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -266.879772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.879772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.879772 (E_RNA) where: Base-Base interactions energy: -97.688 where: short stacking energy: -75.819 Base-Backbone interact. energy: 0.427 local terms energy: -169.618233 where: bonds (distance) C4'-P energy: -46.310 bonds (distance) P-C4' energy: -51.672 flat angles C4'-P-C4' energy: -45.055 flat angles P-C4'-P energy: -34.924 tors. eta vs tors. theta energy: 8.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1042.340057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.340057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.340057 (E_RNA) where: Base-Base interactions energy: -719.168 where: short stacking energy: -295.929 Base-Backbone interact. energy: -1.563 local terms energy: -321.609723 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -70.342 flat angles C4'-P-C4' energy: -69.794 flat angles P-C4'-P energy: -42.139 tors. eta vs tors. theta energy: -81.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1021.665827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.665827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.665827 (E_RNA) where: Base-Base interactions energy: -693.902 where: short stacking energy: -315.335 Base-Backbone interact. energy: -1.331 local terms energy: -326.432632 where: bonds (distance) C4'-P energy: -56.393 bonds (distance) P-C4' energy: -62.281 flat angles C4'-P-C4' energy: -70.453 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -89.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -975.255384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.255384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.255384 (E_RNA) where: Base-Base interactions energy: -651.736 where: short stacking energy: -301.059 Base-Backbone interact. energy: 1.303 local terms energy: -324.822243 where: bonds (distance) C4'-P energy: -61.869 bonds (distance) P-C4' energy: -57.135 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -48.967 tors. eta vs tors. theta energy: -90.552 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: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -939.376346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.376346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.376346 (E_RNA) where: Base-Base interactions energy: -640.909 where: short stacking energy: -274.329 Base-Backbone interact. energy: -0.548 local terms energy: -297.919746 where: bonds (distance) C4'-P energy: -59.696 bonds (distance) P-C4' energy: -50.566 flat angles C4'-P-C4' energy: -70.397 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -65.959 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: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -805.653985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.653985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.653985 (E_RNA) where: Base-Base interactions energy: -519.425 where: short stacking energy: -221.588 Base-Backbone interact. energy: -0.051 local terms energy: -286.178136 where: bonds (distance) C4'-P energy: -57.431 bonds (distance) P-C4' energy: -54.113 flat angles C4'-P-C4' energy: -68.510 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -60.175 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: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -752.075165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.075165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.075165 (E_RNA) where: Base-Base interactions energy: -464.737 where: short stacking energy: -232.083 Base-Backbone interact. energy: -0.230 local terms energy: -287.108374 where: bonds (distance) C4'-P energy: -64.965 bonds (distance) P-C4' energy: -64.255 flat angles C4'-P-C4' energy: -66.635 flat angles P-C4'-P energy: -39.658 tors. eta vs tors. theta energy: -51.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -652.790732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.790732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.790732 (E_RNA) where: Base-Base interactions energy: -406.898 where: short stacking energy: -193.268 Base-Backbone interact. energy: -1.386 local terms energy: -244.506673 where: bonds (distance) C4'-P energy: -46.928 bonds (distance) P-C4' energy: -61.467 flat angles C4'-P-C4' energy: -50.805 flat angles P-C4'-P energy: -43.064 tors. eta vs tors. theta energy: -42.243 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: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -475.784944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.784944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.784944 (E_RNA) where: Base-Base interactions energy: -284.206 where: short stacking energy: -137.262 Base-Backbone interact. energy: -0.538 local terms energy: -191.040788 where: bonds (distance) C4'-P energy: -42.371 bonds (distance) P-C4' energy: -54.071 flat angles C4'-P-C4' energy: -54.214 flat angles P-C4'-P energy: -26.307 tors. eta vs tors. theta energy: -14.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -307.581055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.581055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.581055 (E_RNA) where: Base-Base interactions energy: -110.995 where: short stacking energy: -99.302 Base-Backbone interact. energy: 0.637 local terms energy: -197.223397 where: bonds (distance) C4'-P energy: -58.315 bonds (distance) P-C4' energy: -54.548 flat angles C4'-P-C4' energy: -54.535 flat angles P-C4'-P energy: -26.388 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: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -276.874889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.874889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.874889 (E_RNA) where: Base-Base interactions energy: -102.666 where: short stacking energy: -90.573 Base-Backbone interact. energy: 0.394 local terms energy: -174.603573 where: bonds (distance) C4'-P energy: -41.020 bonds (distance) P-C4' energy: -55.837 flat angles C4'-P-C4' energy: -54.688 flat angles P-C4'-P energy: -19.006 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1033.805455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.805455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.805455 (E_RNA) where: Base-Base interactions energy: -703.642 where: short stacking energy: -301.798 Base-Backbone interact. energy: -2.335 local terms energy: -327.828634 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -68.182 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: -82.338 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: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -978.493446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.493446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.493446 (E_RNA) where: Base-Base interactions energy: -651.676 where: short stacking energy: -297.546 Base-Backbone interact. energy: -0.894 local terms energy: -325.923744 where: bonds (distance) C4'-P energy: -56.571 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -72.759 flat angles P-C4'-P energy: -42.099 tors. eta vs tors. theta energy: -92.088 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: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -968.145147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.145147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.145147 (E_RNA) where: Base-Base interactions energy: -646.570 where: short stacking energy: -272.650 Base-Backbone interact. energy: 0.538 local terms energy: -322.112918 where: bonds (distance) C4'-P energy: -63.733 bonds (distance) P-C4' energy: -61.551 flat angles C4'-P-C4' energy: -65.777 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -81.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -953.344055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.344055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.344055 (E_RNA) where: Base-Base interactions energy: -655.027 where: short stacking energy: -288.863 Base-Backbone interact. energy: -0.046 local terms energy: -298.270743 where: bonds (distance) C4'-P energy: -63.182 bonds (distance) P-C4' energy: -59.143 flat angles C4'-P-C4' energy: -56.757 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -73.950 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: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -787.096810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.096810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.096810 (E_RNA) where: Base-Base interactions energy: -514.808 where: short stacking energy: -228.349 Base-Backbone interact. energy: 0.482 local terms energy: -272.770132 where: bonds (distance) C4'-P energy: -66.843 bonds (distance) P-C4' energy: -51.854 flat angles C4'-P-C4' energy: -58.365 flat angles P-C4'-P energy: -36.427 tors. eta vs tors. theta energy: -59.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -714.669444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.669444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.669444 (E_RNA) where: Base-Base interactions energy: -452.874 where: short stacking energy: -219.171 Base-Backbone interact. energy: 0.080 local terms energy: -261.875495 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -60.911 flat angles C4'-P-C4' energy: -54.784 flat angles P-C4'-P energy: -27.960 tors. eta vs tors. theta energy: -64.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -630.480937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.480937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.480937 (E_RNA) where: Base-Base interactions energy: -416.005 where: short stacking energy: -197.317 Base-Backbone interact. energy: 3.344 local terms energy: -217.820592 where: bonds (distance) C4'-P energy: -49.361 bonds (distance) P-C4' energy: -53.714 flat angles C4'-P-C4' energy: -50.523 flat angles P-C4'-P energy: -21.671 tors. eta vs tors. theta energy: -42.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -441.256545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.256545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.256545 (E_RNA) where: Base-Base interactions energy: -232.861 where: short stacking energy: -122.038 Base-Backbone interact. energy: 1.440 local terms energy: -209.836103 where: bonds (distance) C4'-P energy: -51.376 bonds (distance) P-C4' energy: -57.976 flat angles C4'-P-C4' energy: -58.840 flat angles P-C4'-P energy: -23.702 tors. eta vs tors. theta energy: -17.941 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: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -327.712019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.712019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.712019 (E_RNA) where: Base-Base interactions energy: -114.494 where: short stacking energy: -106.663 Base-Backbone interact. energy: -0.570 local terms energy: -212.647743 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -41.895 flat angles C4'-P-C4' energy: -56.434 flat angles P-C4'-P energy: -39.144 tors. eta vs tors. theta energy: -10.250 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: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -294.416019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.416019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.416019 (E_RNA) where: Base-Base interactions energy: -126.924 where: short stacking energy: -79.307 Base-Backbone interact. energy: 0.082 local terms energy: -167.574222 where: bonds (distance) C4'-P energy: -45.063 bonds (distance) P-C4' energy: -55.373 flat angles C4'-P-C4' energy: -44.515 flat angles P-C4'-P energy: -25.179 tors. eta vs tors. theta energy: 2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1000.244811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.244811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.244811 (E_RNA) where: Base-Base interactions energy: -664.192 where: short stacking energy: -316.815 Base-Backbone interact. energy: -0.787 local terms energy: -335.266045 where: bonds (distance) C4'-P energy: -60.456 bonds (distance) P-C4' energy: -70.651 flat angles C4'-P-C4' energy: -67.781 flat angles P-C4'-P energy: -39.540 tors. eta vs tors. theta energy: -96.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1029.551450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.551450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.551450 (E_RNA) where: Base-Base interactions energy: -690.463 where: short stacking energy: -304.449 Base-Backbone interact. energy: -1.275 local terms energy: -337.813726 where: bonds (distance) C4'-P energy: -70.679 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -66.697 flat angles P-C4'-P energy: -55.495 tors. eta vs tors. theta energy: -80.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -970.463992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.463992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.463992 (E_RNA) where: Base-Base interactions energy: -639.452 where: short stacking energy: -310.368 Base-Backbone interact. energy: -0.101 local terms energy: -330.910727 where: bonds (distance) C4'-P energy: -50.314 bonds (distance) P-C4' energy: -64.923 flat angles C4'-P-C4' energy: -77.106 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: -91.487 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: 246 Temperature: 1.050000 Total energy: -927.231119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.231119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.231119 (E_RNA) where: Base-Base interactions energy: -627.983 where: short stacking energy: -265.388 Base-Backbone interact. energy: -1.515 local terms energy: -297.732792 where: bonds (distance) C4'-P energy: -63.331 bonds (distance) P-C4' energy: -60.815 flat angles C4'-P-C4' energy: -60.837 flat angles P-C4'-P energy: -39.561 tors. eta vs tors. theta energy: -73.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -825.276570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.276570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.276570 (E_RNA) where: Base-Base interactions energy: -531.245 where: short stacking energy: -255.149 Base-Backbone interact. energy: -0.644 local terms energy: -293.387361 where: bonds (distance) C4'-P energy: -48.882 bonds (distance) P-C4' energy: -61.263 flat angles C4'-P-C4' energy: -60.802 flat angles P-C4'-P energy: -43.073 tors. eta vs tors. theta energy: -79.367 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: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -680.685661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.685661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.685661 (E_RNA) where: Base-Base interactions energy: -421.826 where: short stacking energy: -206.572 Base-Backbone interact. energy: -1.486 local terms energy: -257.373524 where: bonds (distance) C4'-P energy: -48.327 bonds (distance) P-C4' energy: -61.598 flat angles C4'-P-C4' energy: -60.069 flat angles P-C4'-P energy: -36.047 tors. eta vs tors. theta energy: -51.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -695.341185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.341185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.341185 (E_RNA) where: Base-Base interactions energy: -438.416 where: short stacking energy: -210.253 Base-Backbone interact. energy: -1.656 local terms energy: -255.269033 where: bonds (distance) C4'-P energy: -60.973 bonds (distance) P-C4' energy: -58.183 flat angles C4'-P-C4' energy: -54.627 flat angles P-C4'-P energy: -34.600 tors. eta vs tors. theta energy: -46.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -517.495415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.495415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.495415 (E_RNA) where: Base-Base interactions energy: -331.655 where: short stacking energy: -136.743 Base-Backbone interact. energy: -1.523 local terms energy: -184.317769 where: bonds (distance) C4'-P energy: -50.317 bonds (distance) P-C4' energy: -49.437 flat angles C4'-P-C4' energy: -56.229 flat angles P-C4'-P energy: -12.836 tors. eta vs tors. theta energy: -15.498 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: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -284.753911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.753911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.753911 (E_RNA) where: Base-Base interactions energy: -109.266 where: short stacking energy: -88.145 Base-Backbone interact. energy: -1.509 local terms energy: -173.979193 where: bonds (distance) C4'-P energy: -48.883 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -43.420 flat angles P-C4'-P energy: -27.284 tors. eta vs tors. theta energy: 5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -309.473225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.473225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.473225 (E_RNA) where: Base-Base interactions energy: -134.150 where: short stacking energy: -89.328 Base-Backbone interact. energy: -2.024 local terms energy: -173.299164 where: bonds (distance) C4'-P energy: -47.651 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -41.063 flat angles P-C4'-P energy: -38.379 tors. eta vs tors. theta energy: 14.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1013.400585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.400585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.400585 (E_RNA) where: Base-Base interactions energy: -659.523 where: short stacking energy: -303.499 Base-Backbone interact. energy: -0.919 local terms energy: -352.958744 where: bonds (distance) C4'-P energy: -60.040 bonds (distance) P-C4' energy: -76.065 flat angles C4'-P-C4' energy: -72.239 flat angles P-C4'-P energy: -58.194 tors. eta vs tors. theta energy: -86.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1002.461340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.461340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.461340 (E_RNA) where: Base-Base interactions energy: -692.825 where: short stacking energy: -308.091 Base-Backbone interact. energy: -0.437 local terms energy: -309.198833 where: bonds (distance) C4'-P energy: -56.408 bonds (distance) P-C4' energy: -53.438 flat angles C4'-P-C4' energy: -75.340 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -84.176 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: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -961.780152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.780152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.780152 (E_RNA) where: Base-Base interactions energy: -649.913 where: short stacking energy: -290.298 Base-Backbone interact. energy: 2.702 local terms energy: -314.569135 where: bonds (distance) C4'-P energy: -63.185 bonds (distance) P-C4' energy: -59.385 flat angles C4'-P-C4' energy: -62.619 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -86.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -892.869076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.869076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.869076 (E_RNA) where: Base-Base interactions energy: -612.580 where: short stacking energy: -259.210 Base-Backbone interact. energy: -3.089 local terms energy: -277.200875 where: bonds (distance) C4'-P energy: -48.387 bonds (distance) P-C4' energy: -54.751 flat angles C4'-P-C4' energy: -68.413 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -63.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -843.271475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.271475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.271475 (E_RNA) where: Base-Base interactions energy: -548.653 where: short stacking energy: -262.713 Base-Backbone interact. energy: -0.691 local terms energy: -293.927405 where: bonds (distance) C4'-P energy: -55.368 bonds (distance) P-C4' energy: -64.640 flat angles C4'-P-C4' energy: -66.004 flat angles P-C4'-P energy: -43.582 tors. eta vs tors. theta energy: -64.335 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: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -747.701529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.701529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.701529 (E_RNA) where: Base-Base interactions energy: -486.547 where: short stacking energy: -238.102 Base-Backbone interact. energy: -0.731 local terms energy: -260.423535 where: bonds (distance) C4'-P energy: -47.428 bonds (distance) P-C4' energy: -70.150 flat angles C4'-P-C4' energy: -53.406 flat angles P-C4'-P energy: -35.361 tors. eta vs tors. theta energy: -54.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -692.370091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.370091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.370091 (E_RNA) where: Base-Base interactions energy: -422.623 where: short stacking energy: -203.175 Base-Backbone interact. energy: -0.607 local terms energy: -269.139943 where: bonds (distance) C4'-P energy: -56.057 bonds (distance) P-C4' energy: -63.994 flat angles C4'-P-C4' energy: -63.534 flat angles P-C4'-P energy: -36.382 tors. eta vs tors. theta energy: -49.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -541.385240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.385240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.385240 (E_RNA) where: Base-Base interactions energy: -325.170 where: short stacking energy: -164.201 Base-Backbone interact. energy: 3.315 local terms energy: -219.530369 where: bonds (distance) C4'-P energy: -56.142 bonds (distance) P-C4' energy: -56.265 flat angles C4'-P-C4' energy: -52.978 flat angles P-C4'-P energy: -31.797 tors. eta vs tors. theta energy: -22.350 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: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -303.569012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.569012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.569012 (E_RNA) where: Base-Base interactions energy: -125.413 where: short stacking energy: -102.995 Base-Backbone interact. energy: -2.449 local terms energy: -175.706225 where: bonds (distance) C4'-P energy: -41.377 bonds (distance) P-C4' energy: -47.115 flat angles C4'-P-C4' energy: -41.689 flat angles P-C4'-P energy: -32.874 tors. eta vs tors. theta energy: -12.651 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: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -283.291870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.291870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.291870 (E_RNA) where: Base-Base interactions energy: -106.347 where: short stacking energy: -74.811 Base-Backbone interact. energy: -1.993 local terms energy: -174.951478 where: bonds (distance) C4'-P energy: -54.963 bonds (distance) P-C4' energy: -46.241 flat angles C4'-P-C4' energy: -48.995 flat angles P-C4'-P energy: -35.872 tors. eta vs tors. theta energy: 11.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1062.570622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.570622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.570622 (E_RNA) where: Base-Base interactions energy: -713.459 where: short stacking energy: -323.031 Base-Backbone interact. energy: -0.301 local terms energy: -348.810991 where: bonds (distance) C4'-P energy: -60.496 bonds (distance) P-C4' energy: -71.864 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -53.758 tors. eta vs tors. theta energy: -94.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -967.778937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.778937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.778937 (E_RNA) where: Base-Base interactions energy: -640.059 where: short stacking energy: -306.628 Base-Backbone interact. energy: -1.678 local terms energy: -326.041608 where: bonds (distance) C4'-P energy: -49.981 bonds (distance) P-C4' energy: -66.772 flat angles C4'-P-C4' energy: -73.863 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -90.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -963.594936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.594936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.594936 (E_RNA) where: Base-Base interactions energy: -639.972 where: short stacking energy: -304.570 Base-Backbone interact. energy: -1.671 local terms energy: -321.951588 where: bonds (distance) C4'-P energy: -52.531 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -47.492 tors. eta vs tors. theta energy: -89.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -911.959884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.959884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.959884 (E_RNA) where: Base-Base interactions energy: -629.242 where: short stacking energy: -259.103 Base-Backbone interact. energy: -1.019 local terms energy: -281.698578 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -53.193 flat angles C4'-P-C4' energy: -67.984 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -61.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -848.854133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.854133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.854133 (E_RNA) where: Base-Base interactions energy: -547.447 where: short stacking energy: -250.912 Base-Backbone interact. energy: -0.782 local terms energy: -300.624571 where: bonds (distance) C4'-P energy: -56.480 bonds (distance) P-C4' energy: -63.309 flat angles C4'-P-C4' energy: -65.372 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -71.631 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: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -743.584639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.584639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.584639 (E_RNA) where: Base-Base interactions energy: -458.384 where: short stacking energy: -211.436 Base-Backbone interact. energy: -0.374 local terms energy: -284.826116 where: bonds (distance) C4'-P energy: -70.509 bonds (distance) P-C4' energy: -59.418 flat angles C4'-P-C4' energy: -58.603 flat angles P-C4'-P energy: -33.222 tors. eta vs tors. theta energy: -63.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -665.013046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.013046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.013046 (E_RNA) where: Base-Base interactions energy: -420.586 where: short stacking energy: -191.649 Base-Backbone interact. energy: 3.074 local terms energy: -247.501407 where: bonds (distance) C4'-P energy: -42.052 bonds (distance) P-C4' energy: -57.355 flat angles C4'-P-C4' energy: -58.900 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: -52.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -557.186723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.186723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.186723 (E_RNA) where: Base-Base interactions energy: -316.759 where: short stacking energy: -157.886 Base-Backbone interact. energy: -1.742 local terms energy: -238.686198 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -63.063 flat angles C4'-P-C4' energy: -48.066 flat angles P-C4'-P energy: -40.523 tors. eta vs tors. theta energy: -30.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -311.006673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.006673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.006673 (E_RNA) where: Base-Base interactions energy: -128.861 where: short stacking energy: -118.574 Base-Backbone interact. energy: -1.234 local terms energy: -180.912412 where: bonds (distance) C4'-P energy: -44.044 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -51.838 flat angles P-C4'-P energy: -14.429 tors. eta vs tors. theta energy: -9.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -266.659689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.659689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.659689 (E_RNA) where: Base-Base interactions energy: -102.781 where: short stacking energy: -79.520 Base-Backbone interact. energy: 0.756 local terms energy: -164.635010 where: bonds (distance) C4'-P energy: -59.983 bonds (distance) P-C4' energy: -56.379 flat angles C4'-P-C4' energy: -20.632 flat angles P-C4'-P energy: -33.673 tors. eta vs tors. theta energy: 6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1055.346147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.346147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.346147 (E_RNA) where: Base-Base interactions energy: -707.689 where: short stacking energy: -308.603 Base-Backbone interact. energy: -2.126 local terms energy: -345.530471 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -69.022 flat angles C4'-P-C4' energy: -74.914 flat angles P-C4'-P energy: -44.302 tors. eta vs tors. theta energy: -92.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -975.626379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.626379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.626379 (E_RNA) where: Base-Base interactions energy: -650.126 where: short stacking energy: -316.023 Base-Backbone interact. energy: -0.410 local terms energy: -325.090829 where: bonds (distance) C4'-P energy: -55.666 bonds (distance) P-C4' energy: -68.279 flat angles C4'-P-C4' energy: -70.734 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -88.001 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: 7 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -961.139179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.139179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.139179 (E_RNA) where: Base-Base interactions energy: -638.806 where: short stacking energy: -309.108 Base-Backbone interact. energy: -0.463 local terms energy: -321.870018 where: bonds (distance) C4'-P energy: -61.771 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -37.166 tors. eta vs tors. theta energy: -88.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -938.039248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.039248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.039248 (E_RNA) where: Base-Base interactions energy: -638.581 where: short stacking energy: -253.143 Base-Backbone interact. energy: 1.294 local terms energy: -300.752157 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -55.414 flat angles C4'-P-C4' energy: -75.313 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -68.896 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: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -834.333523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.333523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.333523 (E_RNA) where: Base-Base interactions energy: -554.269 where: short stacking energy: -257.996 Base-Backbone interact. energy: -0.743 local terms energy: -279.321490 where: bonds (distance) C4'-P energy: -53.763 bonds (distance) P-C4' energy: -48.340 flat angles C4'-P-C4' energy: -64.806 flat angles P-C4'-P energy: -39.731 tors. eta vs tors. theta energy: -72.682 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: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -717.495918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.495918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.495918 (E_RNA) where: Base-Base interactions energy: -454.427 where: short stacking energy: -199.669 Base-Backbone interact. energy: -1.520 local terms energy: -261.548917 where: bonds (distance) C4'-P energy: -50.918 bonds (distance) P-C4' energy: -63.162 flat angles C4'-P-C4' energy: -58.302 flat angles P-C4'-P energy: -37.696 tors. eta vs tors. theta energy: -51.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -665.957722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.957722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.957722 (E_RNA) where: Base-Base interactions energy: -425.824 where: short stacking energy: -200.488 Base-Backbone interact. energy: 2.133 local terms energy: -242.266914 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -41.957 flat angles C4'-P-C4' energy: -56.231 flat angles P-C4'-P energy: -35.546 tors. eta vs tors. theta energy: -45.147 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: 249 Temperature: 1.250000 Total energy: -540.881421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.881421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.881421 (E_RNA) where: Base-Base interactions energy: -304.171 where: short stacking energy: -159.253 Base-Backbone interact. energy: -1.624 local terms energy: -235.086375 where: bonds (distance) C4'-P energy: -54.813 bonds (distance) P-C4' energy: -62.575 flat angles C4'-P-C4' energy: -58.508 flat angles P-C4'-P energy: -17.154 tors. eta vs tors. theta energy: -42.037 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: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -306.611413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.611413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.611413 (E_RNA) where: Base-Base interactions energy: -81.007 where: short stacking energy: -73.226 Base-Backbone interact. energy: -1.008 local terms energy: -224.596511 where: bonds (distance) C4'-P energy: -53.248 bonds (distance) P-C4' energy: -64.785 flat angles C4'-P-C4' energy: -59.228 flat angles P-C4'-P energy: -37.994 tors. eta vs tors. theta energy: -9.341 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: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -268.461341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.461341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.461341 (E_RNA) where: Base-Base interactions energy: -83.126 where: short stacking energy: -76.670 Base-Backbone interact. energy: 2.129 local terms energy: -187.464829 where: bonds (distance) C4'-P energy: -47.470 bonds (distance) P-C4' energy: -53.654 flat angles C4'-P-C4' energy: -52.627 flat angles P-C4'-P energy: -28.003 tors. eta vs tors. theta energy: -5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1059.593172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.593172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.593172 (E_RNA) where: Base-Base interactions energy: -726.573 where: short stacking energy: -315.420 Base-Backbone interact. energy: -1.801 local terms energy: -331.219472 where: bonds (distance) C4'-P energy: -61.673 bonds (distance) P-C4' energy: -66.782 flat angles C4'-P-C4' energy: -74.020 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -80.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -966.327011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.327011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.327011 (E_RNA) where: Base-Base interactions energy: -626.152 where: short stacking energy: -286.063 Base-Backbone interact. energy: -0.243 local terms energy: -339.932409 where: bonds (distance) C4'-P energy: -70.159 bonds (distance) P-C4' energy: -68.524 flat angles C4'-P-C4' energy: -68.425 flat angles P-C4'-P energy: -46.395 tors. eta vs tors. theta energy: -86.429 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: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -958.167018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.167018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.167018 (E_RNA) where: Base-Base interactions energy: -647.501 where: short stacking energy: -273.255 Base-Backbone interact. energy: -0.244 local terms energy: -310.421832 where: bonds (distance) C4'-P energy: -54.735 bonds (distance) P-C4' energy: -66.559 flat angles C4'-P-C4' energy: -70.025 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -72.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -934.620995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.620995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.620995 (E_RNA) where: Base-Base interactions energy: -640.168 where: short stacking energy: -293.726 Base-Backbone interact. energy: -1.019 local terms energy: -293.434225 where: bonds (distance) C4'-P energy: -57.169 bonds (distance) P-C4' energy: -60.621 flat angles C4'-P-C4' energy: -57.475 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -74.482 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: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -842.733414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.733414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.733414 (E_RNA) where: Base-Base interactions energy: -558.006 where: short stacking energy: -266.002 Base-Backbone interact. energy: -0.159 local terms energy: -284.568675 where: bonds (distance) C4'-P energy: -45.145 bonds (distance) P-C4' energy: -59.836 flat angles C4'-P-C4' energy: -66.109 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: -71.551 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: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -768.808203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.808203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.808203 (E_RNA) where: Base-Base interactions energy: -507.976 where: short stacking energy: -255.968 Base-Backbone interact. energy: 1.386 local terms energy: -262.218243 where: bonds (distance) C4'-P energy: -44.621 bonds (distance) P-C4' energy: -53.814 flat angles C4'-P-C4' energy: -66.698 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: -59.726 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: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -681.284836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.284836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.284836 (E_RNA) where: Base-Base interactions energy: -440.212 where: short stacking energy: -203.651 Base-Backbone interact. energy: -1.178 local terms energy: -239.895117 where: bonds (distance) C4'-P energy: -53.897 bonds (distance) P-C4' energy: -53.009 flat angles C4'-P-C4' energy: -63.417 flat angles P-C4'-P energy: -24.892 tors. eta vs tors. theta energy: -44.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -566.366058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.366058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.366058 (E_RNA) where: Base-Base interactions energy: -342.090 where: short stacking energy: -163.131 Base-Backbone interact. energy: -0.270 local terms energy: -224.006125 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -48.751 flat angles C4'-P-C4' energy: -55.010 flat angles P-C4'-P energy: -27.351 tors. eta vs tors. theta energy: -34.243 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: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -323.745070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.745070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.745070 (E_RNA) where: Base-Base interactions energy: -116.487 where: short stacking energy: -91.315 Base-Backbone interact. energy: -0.543 local terms energy: -206.715142 where: bonds (distance) C4'-P energy: -53.895 bonds (distance) P-C4' energy: -62.473 flat angles C4'-P-C4' energy: -46.833 flat angles P-C4'-P energy: -34.368 tors. eta vs tors. theta energy: -9.146 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: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -286.145517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.145517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.145517 (E_RNA) where: Base-Base interactions energy: -100.148 where: short stacking energy: -78.354 Base-Backbone interact. energy: -0.045 local terms energy: -185.952503 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -56.903 flat angles C4'-P-C4' energy: -52.721 flat angles P-C4'-P energy: -25.209 tors. eta vs tors. theta energy: 7.212 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: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1062.515567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.515567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.515567 (E_RNA) where: Base-Base interactions energy: -722.382 where: short stacking energy: -326.045 Base-Backbone interact. energy: -1.030 local terms energy: -339.103815 where: bonds (distance) C4'-P energy: -65.195 bonds (distance) P-C4' energy: -61.361 flat angles C4'-P-C4' energy: -75.283 flat angles P-C4'-P energy: -42.441 tors. eta vs tors. theta energy: -94.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -979.982301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.982301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.982301 (E_RNA) where: Base-Base interactions energy: -659.409 where: short stacking energy: -303.699 Base-Backbone interact. energy: 0.103 local terms energy: -320.676199 where: bonds (distance) C4'-P energy: -69.442 bonds (distance) P-C4' energy: -55.602 flat angles C4'-P-C4' energy: -70.212 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -86.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -978.226178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.226178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.226178 (E_RNA) where: Base-Base interactions energy: -666.587 where: short stacking energy: -289.073 Base-Backbone interact. energy: -1.576 local terms energy: -310.063130 where: bonds (distance) C4'-P energy: -45.606 bonds (distance) P-C4' energy: -63.126 flat angles C4'-P-C4' energy: -71.723 flat angles P-C4'-P energy: -46.096 tors. eta vs tors. theta energy: -83.511 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: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -956.649481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.649481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.649481 (E_RNA) where: Base-Base interactions energy: -649.156 where: short stacking energy: -297.112 Base-Backbone interact. energy: 1.083 local terms energy: -308.575828 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -61.509 flat angles C4'-P-C4' energy: -70.668 flat angles P-C4'-P energy: -35.232 tors. eta vs tors. theta energy: -84.864 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: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -840.283871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.283871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.283871 (E_RNA) where: Base-Base interactions energy: -530.951 where: short stacking energy: -263.131 Base-Backbone interact. energy: -1.820 local terms energy: -307.512983 where: bonds (distance) C4'-P energy: -58.374 bonds (distance) P-C4' energy: -57.311 flat angles C4'-P-C4' energy: -64.055 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: -82.616 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: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -747.305329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.305329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.305329 (E_RNA) where: Base-Base interactions energy: -485.080 where: short stacking energy: -242.910 Base-Backbone interact. energy: -1.240 local terms energy: -260.985327 where: bonds (distance) C4'-P energy: -44.630 bonds (distance) P-C4' energy: -57.085 flat angles C4'-P-C4' energy: -63.562 flat angles P-C4'-P energy: -31.899 tors. eta vs tors. theta energy: -63.810 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: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -626.636611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.636611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.636611 (E_RNA) where: Base-Base interactions energy: -394.695 where: short stacking energy: -200.989 Base-Backbone interact. energy: -1.209 local terms energy: -230.732650 where: bonds (distance) C4'-P energy: -50.960 bonds (distance) P-C4' energy: -58.603 flat angles C4'-P-C4' energy: -47.920 flat angles P-C4'-P energy: -24.194 tors. eta vs tors. theta energy: -49.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -530.618334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.618334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.618334 (E_RNA) where: Base-Base interactions energy: -299.859 where: short stacking energy: -144.863 Base-Backbone interact. energy: -1.853 local terms energy: -228.906779 where: bonds (distance) C4'-P energy: -58.415 bonds (distance) P-C4' energy: -57.955 flat angles C4'-P-C4' energy: -54.785 flat angles P-C4'-P energy: -32.676 tors. eta vs tors. theta energy: -25.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -302.517634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.517634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.517634 (E_RNA) where: Base-Base interactions energy: -138.056 where: short stacking energy: -104.030 Base-Backbone interact. energy: -1.384 local terms energy: -163.078151 where: bonds (distance) C4'-P energy: -44.619 bonds (distance) P-C4' energy: -49.921 flat angles C4'-P-C4' energy: -47.685 flat angles P-C4'-P energy: -17.112 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -264.455763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.455763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.455763 (E_RNA) where: Base-Base interactions energy: -100.469 where: short stacking energy: -83.167 Base-Backbone interact. energy: 0.807 local terms energy: -164.793948 where: bonds (distance) C4'-P energy: -51.997 bonds (distance) P-C4' energy: -56.831 flat angles C4'-P-C4' energy: -40.802 flat angles P-C4'-P energy: -21.182 tors. eta vs tors. theta energy: 6.019 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: 1, replica: 9 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1053.009568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.009568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.009568 (E_RNA) where: Base-Base interactions energy: -713.142 where: short stacking energy: -300.070 Base-Backbone interact. energy: 0.183 local terms energy: -340.051004 where: bonds (distance) C4'-P energy: -59.266 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -71.174 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -90.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -974.351303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.351303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.351303 (E_RNA) where: Base-Base interactions energy: -646.496 where: short stacking energy: -301.307 Base-Backbone interact. energy: -1.201 local terms energy: -326.653648 where: bonds (distance) C4'-P energy: -62.720 bonds (distance) P-C4' energy: -67.501 flat angles C4'-P-C4' energy: -75.725 flat angles P-C4'-P energy: -39.908 tors. eta vs tors. theta energy: -80.799 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: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -979.486957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.486957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.486957 (E_RNA) where: Base-Base interactions energy: -653.522 where: short stacking energy: -299.042 Base-Backbone interact. energy: -3.063 local terms energy: -322.902079 where: bonds (distance) C4'-P energy: -67.358 bonds (distance) P-C4' energy: -66.273 flat angles C4'-P-C4' energy: -61.273 flat angles P-C4'-P energy: -48.848 tors. eta vs tors. theta energy: -79.149 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: 2 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -943.576873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.576873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.576873 (E_RNA) where: Base-Base interactions energy: -632.776 where: short stacking energy: -269.383 Base-Backbone interact. energy: -1.528 local terms energy: -309.272069 where: bonds (distance) C4'-P energy: -60.559 bonds (distance) P-C4' energy: -64.041 flat angles C4'-P-C4' energy: -64.025 flat angles P-C4'-P energy: -38.651 tors. eta vs tors. theta energy: -81.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -819.165615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.165615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.165615 (E_RNA) where: Base-Base interactions energy: -508.290 where: short stacking energy: -255.364 Base-Backbone interact. energy: -0.587 local terms energy: -310.287836 where: bonds (distance) C4'-P energy: -67.974 bonds (distance) P-C4' energy: -56.571 flat angles C4'-P-C4' energy: -66.483 flat angles P-C4'-P energy: -40.935 tors. eta vs tors. theta energy: -78.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -765.518860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.518860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.518860 (E_RNA) where: Base-Base interactions energy: -490.036 where: short stacking energy: -248.514 Base-Backbone interact. energy: -1.128 local terms energy: -274.355219 where: bonds (distance) C4'-P energy: -48.624 bonds (distance) P-C4' energy: -59.662 flat angles C4'-P-C4' energy: -63.892 flat angles P-C4'-P energy: -31.251 tors. eta vs tors. theta energy: -70.927 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: 1 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -655.787898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.787898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.787898 (E_RNA) where: Base-Base interactions energy: -397.521 where: short stacking energy: -185.718 Base-Backbone interact. energy: -0.274 local terms energy: -257.993226 where: bonds (distance) C4'-P energy: -61.569 bonds (distance) P-C4' energy: -62.627 flat angles C4'-P-C4' energy: -49.411 flat angles P-C4'-P energy: -28.934 tors. eta vs tors. theta energy: -55.452 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: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -527.477159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.477159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.477159 (E_RNA) where: Base-Base interactions energy: -323.460 where: short stacking energy: -139.359 Base-Backbone interact. energy: 2.485 local terms energy: -206.502565 where: bonds (distance) C4'-P energy: -52.784 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -52.625 flat angles P-C4'-P energy: -23.857 tors. eta vs tors. theta energy: -15.016 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: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -282.914304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.914304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.914304 (E_RNA) where: Base-Base interactions energy: -117.160 where: short stacking energy: -83.468 Base-Backbone interact. energy: 0.606 local terms energy: -166.360959 where: bonds (distance) C4'-P energy: -45.884 bonds (distance) P-C4' energy: -55.845 flat angles C4'-P-C4' energy: -43.678 flat angles P-C4'-P energy: -25.863 tors. eta vs tors. theta energy: 4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -258.579376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.579376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.579376 (E_RNA) where: Base-Base interactions energy: -112.751 where: short stacking energy: -70.863 Base-Backbone interact. energy: 2.126 local terms energy: -147.954544 where: bonds (distance) C4'-P energy: -47.371 bonds (distance) P-C4' energy: -50.253 flat angles C4'-P-C4' energy: -53.820 flat angles P-C4'-P energy: -21.393 tors. eta vs tors. theta energy: 24.882 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: 9 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1036.733988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.733988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.733988 (E_RNA) where: Base-Base interactions energy: -706.671 where: short stacking energy: -310.445 Base-Backbone interact. energy: -1.563 local terms energy: -328.499593 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -62.685 flat angles C4'-P-C4' energy: -67.305 flat angles P-C4'-P energy: -52.058 tors. eta vs tors. theta energy: -82.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -990.853605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.853605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.853605 (E_RNA) where: Base-Base interactions energy: -654.101 where: short stacking energy: -297.728 Base-Backbone interact. energy: -1.682 local terms energy: -335.071099 where: bonds (distance) C4'-P energy: -65.923 bonds (distance) P-C4' energy: -66.179 flat angles C4'-P-C4' energy: -77.920 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -79.590 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: 253 Temperature: 1.000000 Total energy: -941.076588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.076588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.076588 (E_RNA) where: Base-Base interactions energy: -636.837 where: short stacking energy: -272.239 Base-Backbone interact. energy: -1.233 local terms energy: -303.006052 where: bonds (distance) C4'-P energy: -51.281 bonds (distance) P-C4' energy: -58.824 flat angles C4'-P-C4' energy: -68.836 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -76.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -934.237160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.237160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.237160 (E_RNA) where: Base-Base interactions energy: -648.921 where: short stacking energy: -281.986 Base-Backbone interact. energy: 0.586 local terms energy: -285.902074 where: bonds (distance) C4'-P energy: -51.139 bonds (distance) P-C4' energy: -49.725 flat angles C4'-P-C4' energy: -63.038 flat angles P-C4'-P energy: -49.765 tors. eta vs tors. theta energy: -72.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -833.274838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.274838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.274838 (E_RNA) where: Base-Base interactions energy: -535.334 where: short stacking energy: -246.938 Base-Backbone interact. energy: -0.284 local terms energy: -297.656580 where: bonds (distance) C4'-P energy: -53.580 bonds (distance) P-C4' energy: -63.600 flat angles C4'-P-C4' energy: -65.102 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -67.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -754.841699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.841699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.841699 (E_RNA) where: Base-Base interactions energy: -481.342 where: short stacking energy: -238.448 Base-Backbone interact. energy: -1.783 local terms energy: -271.716552 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -61.906 flat angles C4'-P-C4' energy: -59.303 flat angles P-C4'-P energy: -35.692 tors. eta vs tors. theta energy: -53.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -668.637460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.637460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.637460 (E_RNA) where: Base-Base interactions energy: -412.391 where: short stacking energy: -205.125 Base-Backbone interact. energy: -2.656 local terms energy: -253.589695 where: bonds (distance) C4'-P energy: -50.558 bonds (distance) P-C4' energy: -48.805 flat angles C4'-P-C4' energy: -54.703 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -51.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -537.202198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.202198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.202198 (E_RNA) where: Base-Base interactions energy: -335.189 where: short stacking energy: -142.296 Base-Backbone interact. energy: -0.273 local terms energy: -201.740471 where: bonds (distance) C4'-P energy: -51.408 bonds (distance) P-C4' energy: -54.084 flat angles C4'-P-C4' energy: -45.869 flat angles P-C4'-P energy: -30.489 tors. eta vs tors. theta energy: -19.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -303.612408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.612408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.612408 (E_RNA) where: Base-Base interactions energy: -114.370 where: short stacking energy: -88.951 Base-Backbone interact. energy: 2.480 local terms energy: -191.722064 where: bonds (distance) C4'-P energy: -56.871 bonds (distance) P-C4' energy: -55.293 flat angles C4'-P-C4' energy: -43.899 flat angles P-C4'-P energy: -27.512 tors. eta vs tors. theta energy: -8.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -285.697369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.697369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.697369 (E_RNA) where: Base-Base interactions energy: -104.894 where: short stacking energy: -72.667 Base-Backbone interact. energy: -0.762 local terms energy: -180.041093 where: bonds (distance) C4'-P energy: -46.730 bonds (distance) P-C4' energy: -56.024 flat angles C4'-P-C4' energy: -53.968 flat angles P-C4'-P energy: -28.835 tors. eta vs tors. theta energy: 5.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1044.469481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.469481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.469481 (E_RNA) where: Base-Base interactions energy: -715.935 where: short stacking energy: -315.175 Base-Backbone interact. energy: -3.709 local terms energy: -324.825049 where: bonds (distance) C4'-P energy: -57.925 bonds (distance) P-C4' energy: -69.995 flat angles C4'-P-C4' energy: -64.993 flat angles P-C4'-P energy: -49.191 tors. eta vs tors. theta energy: -82.720 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: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -987.273999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.273999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.273999 (E_RNA) where: Base-Base interactions energy: -663.272 where: short stacking energy: -302.237 Base-Backbone interact. energy: 0.670 local terms energy: -324.671995 where: bonds (distance) C4'-P energy: -51.688 bonds (distance) P-C4' energy: -65.093 flat angles C4'-P-C4' energy: -74.422 flat angles P-C4'-P energy: -49.412 tors. eta vs tors. theta energy: -84.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -961.468405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.468405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.468405 (E_RNA) where: Base-Base interactions energy: -644.183 where: short stacking energy: -293.293 Base-Backbone interact. energy: -3.283 local terms energy: -314.002423 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -67.675 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -79.639 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: 254 Temperature: 1.050000 Total energy: -919.912832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.912832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.912832 (E_RNA) where: Base-Base interactions energy: -624.530 where: short stacking energy: -270.318 Base-Backbone interact. energy: 1.177 local terms energy: -296.559631 where: bonds (distance) C4'-P energy: -59.974 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -62.803 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: -68.777 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: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -791.551752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.551752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.551752 (E_RNA) where: Base-Base interactions energy: -504.104 where: short stacking energy: -236.562 Base-Backbone interact. energy: -0.634 local terms energy: -286.814024 where: bonds (distance) C4'-P energy: -59.140 bonds (distance) P-C4' energy: -57.522 flat angles C4'-P-C4' energy: -66.916 flat angles P-C4'-P energy: -37.135 tors. eta vs tors. theta energy: -66.100 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: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -771.534393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.534393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.534393 (E_RNA) where: Base-Base interactions energy: -489.873 where: short stacking energy: -223.259 Base-Backbone interact. energy: 0.719 local terms energy: -282.380447 where: bonds (distance) C4'-P energy: -62.230 bonds (distance) P-C4' energy: -58.409 flat angles C4'-P-C4' energy: -61.448 flat angles P-C4'-P energy: -41.177 tors. eta vs tors. theta energy: -59.117 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: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -673.808182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.808182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.808182 (E_RNA) where: Base-Base interactions energy: -423.121 where: short stacking energy: -205.717 Base-Backbone interact. energy: 0.328 local terms energy: -251.014777 where: bonds (distance) C4'-P energy: -48.277 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -26.224 tors. eta vs tors. theta energy: -54.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -522.602291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.602291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.602291 (E_RNA) where: Base-Base interactions energy: -316.033 where: short stacking energy: -163.743 Base-Backbone interact. energy: -1.284 local terms energy: -205.285081 where: bonds (distance) C4'-P energy: -43.794 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -50.776 flat angles P-C4'-P energy: -28.866 tors. eta vs tors. theta energy: -24.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -276.090697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.090697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.090697 (E_RNA) where: Base-Base interactions energy: -98.695 where: short stacking energy: -83.468 Base-Backbone interact. energy: 0.884 local terms energy: -178.279711 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -54.570 flat angles C4'-P-C4' energy: -50.724 flat angles P-C4'-P energy: -21.808 tors. eta vs tors. theta energy: 4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -251.513780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.513780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.513780 (E_RNA) where: Base-Base interactions energy: -88.650 where: short stacking energy: -87.225 Base-Backbone interact. energy: 3.769 local terms energy: -166.633172 where: bonds (distance) C4'-P energy: -54.112 bonds (distance) P-C4' energy: -56.141 flat angles C4'-P-C4' energy: -38.387 flat angles P-C4'-P energy: -21.083 tors. eta vs tors. theta energy: 3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1061.906232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.906232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.906232 (E_RNA) where: Base-Base interactions energy: -731.264 where: short stacking energy: -319.127 Base-Backbone interact. energy: 3.536 local terms energy: -334.178467 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -66.247 flat angles C4'-P-C4' energy: -73.000 flat angles P-C4'-P energy: -46.382 tors. eta vs tors. theta energy: -84.975 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: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1013.053839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.053839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.053839 (E_RNA) where: Base-Base interactions energy: -673.366 where: short stacking energy: -292.761 Base-Backbone interact. energy: -1.166 local terms energy: -338.521370 where: bonds (distance) C4'-P energy: -71.973 bonds (distance) P-C4' energy: -61.386 flat angles C4'-P-C4' energy: -73.801 flat angles P-C4'-P energy: -44.463 tors. eta vs tors. theta energy: -86.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -954.086923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.086923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.086923 (E_RNA) where: Base-Base interactions energy: -639.765 where: short stacking energy: -262.883 Base-Backbone interact. energy: -0.211 local terms energy: -314.111556 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -69.445 flat angles C4'-P-C4' energy: -72.992 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -73.204 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: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -932.378951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.378951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.378951 (E_RNA) where: Base-Base interactions energy: -648.434 where: short stacking energy: -274.916 Base-Backbone interact. energy: -0.983 local terms energy: -282.961952 where: bonds (distance) C4'-P energy: -49.372 bonds (distance) P-C4' energy: -49.272 flat angles C4'-P-C4' energy: -60.818 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -71.812 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: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -792.248478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.248478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.248478 (E_RNA) where: Base-Base interactions energy: -508.822 where: short stacking energy: -255.902 Base-Backbone interact. energy: -1.035 local terms energy: -282.390955 where: bonds (distance) C4'-P energy: -51.243 bonds (distance) P-C4' energy: -63.470 flat angles C4'-P-C4' energy: -61.905 flat angles P-C4'-P energy: -34.960 tors. eta vs tors. theta energy: -70.812 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: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -816.684649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.684649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.684649 (E_RNA) where: Base-Base interactions energy: -524.781 where: short stacking energy: -246.557 Base-Backbone interact. energy: -1.613 local terms energy: -290.290915 where: bonds (distance) C4'-P energy: -56.595 bonds (distance) P-C4' energy: -72.721 flat angles C4'-P-C4' energy: -57.972 flat angles P-C4'-P energy: -38.765 tors. eta vs tors. theta energy: -64.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -657.095023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.095023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.095023 (E_RNA) where: Base-Base interactions energy: -404.382 where: short stacking energy: -185.710 Base-Backbone interact. energy: -0.544 local terms energy: -252.168684 where: bonds (distance) C4'-P energy: -60.521 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -55.120 flat angles P-C4'-P energy: -34.055 tors. eta vs tors. theta energy: -41.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -503.384745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.384745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.384745 (E_RNA) where: Base-Base interactions energy: -305.142 where: short stacking energy: -141.010 Base-Backbone interact. energy: -0.190 local terms energy: -198.052191 where: bonds (distance) C4'-P energy: -47.279 bonds (distance) P-C4' energy: -55.133 flat angles C4'-P-C4' energy: -47.515 flat angles P-C4'-P energy: -39.010 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -286.062644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.062644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.062644 (E_RNA) where: Base-Base interactions energy: -124.872 where: short stacking energy: -100.857 Base-Backbone interact. energy: 3.088 local terms energy: -164.279097 where: bonds (distance) C4'-P energy: -48.158 bonds (distance) P-C4' energy: -49.790 flat angles C4'-P-C4' energy: -50.558 flat angles P-C4'-P energy: -13.458 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -275.342835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.342835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.342835 (E_RNA) where: Base-Base interactions energy: -87.386 where: short stacking energy: -83.611 Base-Backbone interact. energy: -0.033 local terms energy: -187.924413 where: bonds (distance) C4'-P energy: -52.099 bonds (distance) P-C4' energy: -52.158 flat angles C4'-P-C4' energy: -44.616 flat angles P-C4'-P energy: -31.924 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: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1073.809030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.809030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.809030 (E_RNA) where: Base-Base interactions energy: -727.351 where: short stacking energy: -316.668 Base-Backbone interact. energy: -1.986 local terms energy: -344.471438 where: bonds (distance) C4'-P energy: -72.053 bonds (distance) P-C4' energy: -58.431 flat angles C4'-P-C4' energy: -74.266 flat angles P-C4'-P energy: -51.272 tors. eta vs tors. theta energy: -88.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1035.092580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.092580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.092580 (E_RNA) where: Base-Base interactions energy: -700.176 where: short stacking energy: -323.139 Base-Backbone interact. energy: 2.148 local terms energy: -337.064313 where: bonds (distance) C4'-P energy: -61.523 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -76.806 flat angles P-C4'-P energy: -39.532 tors. eta vs tors. theta energy: -97.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -964.506554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.506554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.506554 (E_RNA) where: Base-Base interactions energy: -650.326 where: short stacking energy: -292.123 Base-Backbone interact. energy: -0.133 local terms energy: -314.047501 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -64.682 flat angles C4'-P-C4' energy: -65.324 flat angles P-C4'-P energy: -42.015 tors. eta vs tors. theta energy: -81.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -941.628911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.628911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.628911 (E_RNA) where: Base-Base interactions energy: -646.018 where: short stacking energy: -279.153 Base-Backbone interact. energy: -1.279 local terms energy: -294.331359 where: bonds (distance) C4'-P energy: -64.067 bonds (distance) P-C4' energy: -57.737 flat angles C4'-P-C4' energy: -69.404 flat angles P-C4'-P energy: -32.312 tors. eta vs tors. theta energy: -70.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -830.239555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.239555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.239555 (E_RNA) where: Base-Base interactions energy: -543.522 where: short stacking energy: -240.566 Base-Backbone interact. energy: -0.828 local terms energy: -285.890320 where: bonds (distance) C4'-P energy: -64.691 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -60.881 flat angles P-C4'-P energy: -37.777 tors. eta vs tors. theta energy: -64.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -788.943980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.943980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.943980 (E_RNA) where: Base-Base interactions energy: -497.751 where: short stacking energy: -229.101 Base-Backbone interact. energy: -1.279 local terms energy: -289.914010 where: bonds (distance) C4'-P energy: -58.299 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -62.717 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -66.227 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: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -619.439976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.439976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.439976 (E_RNA) where: Base-Base interactions energy: -389.190 where: short stacking energy: -173.576 Base-Backbone interact. energy: -0.946 local terms energy: -229.303984 where: bonds (distance) C4'-P energy: -46.818 bonds (distance) P-C4' energy: -47.711 flat angles C4'-P-C4' energy: -53.293 flat angles P-C4'-P energy: -43.711 tors. eta vs tors. theta energy: -37.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -509.474803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.474803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.474803 (E_RNA) where: Base-Base interactions energy: -297.778 where: short stacking energy: -154.522 Base-Backbone interact. energy: 1.359 local terms energy: -213.055420 where: bonds (distance) C4'-P energy: -45.064 bonds (distance) P-C4' energy: -48.928 flat angles C4'-P-C4' energy: -54.695 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: -27.796 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: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -272.787936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.787936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.787936 (E_RNA) where: Base-Base interactions energy: -93.519 where: short stacking energy: -77.652 Base-Backbone interact. energy: -1.597 local terms energy: -177.671804 where: bonds (distance) C4'-P energy: -47.980 bonds (distance) P-C4' energy: -48.261 flat angles C4'-P-C4' energy: -55.472 flat angles P-C4'-P energy: -34.666 tors. eta vs tors. theta energy: 8.708 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: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -281.457384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.457384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.457384 (E_RNA) where: Base-Base interactions energy: -90.743 where: short stacking energy: -85.646 Base-Backbone interact. energy: 0.506 local terms energy: -191.220004 where: bonds (distance) C4'-P energy: -52.121 bonds (distance) P-C4' energy: -56.170 flat angles C4'-P-C4' energy: -49.534 flat angles P-C4'-P energy: -25.960 tors. eta vs tors. theta energy: -7.435 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: 1, replica: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1066.057748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.057748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.057748 (E_RNA) where: Base-Base interactions energy: -720.673 where: short stacking energy: -316.513 Base-Backbone interact. energy: -2.407 local terms energy: -342.978143 where: bonds (distance) C4'-P energy: -72.874 bonds (distance) P-C4' energy: -62.525 flat angles C4'-P-C4' energy: -72.298 flat angles P-C4'-P energy: -47.134 tors. eta vs tors. theta energy: -88.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1028.111631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.111631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.111631 (E_RNA) where: Base-Base interactions energy: -697.914 where: short stacking energy: -320.060 Base-Backbone interact. energy: -0.722 local terms energy: -329.474823 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -60.830 flat angles C4'-P-C4' energy: -65.877 flat angles P-C4'-P energy: -47.167 tors. eta vs tors. theta energy: -89.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -963.484288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.484288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.484288 (E_RNA) where: Base-Base interactions energy: -665.318 where: short stacking energy: -274.708 Base-Backbone interact. energy: -0.479 local terms energy: -297.687354 where: bonds (distance) C4'-P energy: -65.368 bonds (distance) P-C4' energy: -62.063 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -34.319 tors. eta vs tors. theta energy: -71.815 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: 257 Temperature: 1.050000 Total energy: -947.543852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.543852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.543852 (E_RNA) where: Base-Base interactions energy: -656.757 where: short stacking energy: -284.813 Base-Backbone interact. energy: -0.780 local terms energy: -290.006476 where: bonds (distance) C4'-P energy: -60.118 bonds (distance) P-C4' energy: -52.057 flat angles C4'-P-C4' energy: -74.271 flat angles P-C4'-P energy: -33.092 tors. eta vs tors. theta energy: -70.469 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: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -866.966063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.966063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.966063 (E_RNA) where: Base-Base interactions energy: -572.849 where: short stacking energy: -279.011 Base-Backbone interact. energy: 3.992 local terms energy: -298.109126 where: bonds (distance) C4'-P energy: -53.554 bonds (distance) P-C4' energy: -57.820 flat angles C4'-P-C4' energy: -68.619 flat angles P-C4'-P energy: -36.843 tors. eta vs tors. theta energy: -81.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -774.528104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.528104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.528104 (E_RNA) where: Base-Base interactions energy: -494.744 where: short stacking energy: -243.383 Base-Backbone interact. energy: 1.123 local terms energy: -280.907450 where: bonds (distance) C4'-P energy: -50.923 bonds (distance) P-C4' energy: -63.957 flat angles C4'-P-C4' energy: -58.134 flat angles P-C4'-P energy: -44.997 tors. eta vs tors. theta energy: -62.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -649.635149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.635149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.635149 (E_RNA) where: Base-Base interactions energy: -418.286 where: short stacking energy: -189.085 Base-Backbone interact. energy: -2.919 local terms energy: -228.430755 where: bonds (distance) C4'-P energy: -46.677 bonds (distance) P-C4' energy: -51.485 flat angles C4'-P-C4' energy: -60.535 flat angles P-C4'-P energy: -29.764 tors. eta vs tors. theta energy: -39.970 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: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -476.917774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.917774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.917774 (E_RNA) where: Base-Base interactions energy: -288.402 where: short stacking energy: -156.818 Base-Backbone interact. energy: 0.124 local terms energy: -188.639596 where: bonds (distance) C4'-P energy: -52.520 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -38.710 flat angles P-C4'-P energy: -22.816 tors. eta vs tors. theta energy: -13.716 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: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -279.407503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.407503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.407503 (E_RNA) where: Base-Base interactions energy: -90.416 where: short stacking energy: -81.886 Base-Backbone interact. energy: 2.808 local terms energy: -191.799404 where: bonds (distance) C4'-P energy: -64.732 bonds (distance) P-C4' energy: -62.794 flat angles C4'-P-C4' energy: -44.249 flat angles P-C4'-P energy: -27.956 tors. eta vs tors. theta energy: 7.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -276.282531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.282531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.282531 (E_RNA) where: Base-Base interactions energy: -116.362 where: short stacking energy: -93.261 Base-Backbone interact. energy: -2.106 local terms energy: -157.814436 where: bonds (distance) C4'-P energy: -61.362 bonds (distance) P-C4' energy: -58.132 flat angles C4'-P-C4' energy: -30.047 flat angles P-C4'-P energy: -18.135 tors. eta vs tors. theta energy: 9.861 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: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1050.103162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.103162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.103162 (E_RNA) where: Base-Base interactions energy: -727.023 where: short stacking energy: -321.671 Base-Backbone interact. energy: 4.903 local terms energy: -327.983435 where: bonds (distance) C4'-P energy: -66.485 bonds (distance) P-C4' energy: -59.754 flat angles C4'-P-C4' energy: -74.902 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -84.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -994.718857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.718857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.718857 (E_RNA) where: Base-Base interactions energy: -660.245 where: short stacking energy: -295.813 Base-Backbone interact. energy: -1.947 local terms energy: -332.526289 where: bonds (distance) C4'-P energy: -54.208 bonds (distance) P-C4' energy: -67.999 flat angles C4'-P-C4' energy: -71.726 flat angles P-C4'-P energy: -45.227 tors. eta vs tors. theta energy: -93.367 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: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -948.569332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.569332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.569332 (E_RNA) where: Base-Base interactions energy: -633.570 where: short stacking energy: -266.754 Base-Backbone interact. energy: -1.992 local terms energy: -313.007646 where: bonds (distance) C4'-P energy: -58.654 bonds (distance) P-C4' energy: -67.564 flat angles C4'-P-C4' energy: -61.581 flat angles P-C4'-P energy: -48.658 tors. eta vs tors. theta energy: -76.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -945.305899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.305899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.305899 (E_RNA) where: Base-Base interactions energy: -641.249 where: short stacking energy: -267.072 Base-Backbone interact. energy: -1.319 local terms energy: -302.737493 where: bonds (distance) C4'-P energy: -57.286 bonds (distance) P-C4' energy: -68.014 flat angles C4'-P-C4' energy: -62.874 flat angles P-C4'-P energy: -43.597 tors. eta vs tors. theta energy: -70.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -829.267434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.267434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.267434 (E_RNA) where: Base-Base interactions energy: -552.547 where: short stacking energy: -273.490 Base-Backbone interact. energy: 1.811 local terms energy: -278.531175 where: bonds (distance) C4'-P energy: -46.510 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -61.278 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: -74.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -750.240747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.240747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.240747 (E_RNA) where: Base-Base interactions energy: -485.180 where: short stacking energy: -219.951 Base-Backbone interact. energy: 0.023 local terms energy: -265.083689 where: bonds (distance) C4'-P energy: -51.139 bonds (distance) P-C4' energy: -59.983 flat angles C4'-P-C4' energy: -64.266 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -51.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -639.777398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.777398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.777398 (E_RNA) where: Base-Base interactions energy: -383.073 where: short stacking energy: -178.463 Base-Backbone interact. energy: -1.730 local terms energy: -254.973685 where: bonds (distance) C4'-P energy: -44.956 bonds (distance) P-C4' energy: -66.608 flat angles C4'-P-C4' energy: -51.760 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -49.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -497.367861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.367861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.367861 (E_RNA) where: Base-Base interactions energy: -280.928 where: short stacking energy: -121.950 Base-Backbone interact. energy: 6.514 local terms energy: -222.954504 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -66.952 flat angles C4'-P-C4' energy: -48.278 flat angles P-C4'-P energy: -29.851 tors. eta vs tors. theta energy: -17.640 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: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -303.952999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.952999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.952999 (E_RNA) where: Base-Base interactions energy: -128.086 where: short stacking energy: -97.745 Base-Backbone interact. energy: -0.211 local terms energy: -175.656296 where: bonds (distance) C4'-P energy: -51.671 bonds (distance) P-C4' energy: -49.030 flat angles C4'-P-C4' energy: -49.853 flat angles P-C4'-P energy: -23.056 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -275.479154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.479154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.479154 (E_RNA) where: Base-Base interactions energy: -101.224 where: short stacking energy: -74.580 Base-Backbone interact. energy: 0.141 local terms energy: -174.395405 where: bonds (distance) C4'-P energy: -54.974 bonds (distance) P-C4' energy: -51.013 flat angles C4'-P-C4' energy: -48.791 flat angles P-C4'-P energy: -22.918 tors. eta vs tors. theta energy: 3.302 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: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1056.251759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.251759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.251759 (E_RNA) where: Base-Base interactions energy: -729.837 where: short stacking energy: -313.516 Base-Backbone interact. energy: -0.525 local terms energy: -325.889345 where: bonds (distance) C4'-P energy: -70.456 bonds (distance) P-C4' energy: -60.001 flat angles C4'-P-C4' energy: -64.896 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -85.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -969.417122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.417122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.417122 (E_RNA) where: Base-Base interactions energy: -645.179 where: short stacking energy: -271.914 Base-Backbone interact. energy: -0.474 local terms energy: -323.764082 where: bonds (distance) C4'-P energy: -55.240 bonds (distance) P-C4' energy: -61.034 flat angles C4'-P-C4' energy: -68.984 flat angles P-C4'-P energy: -52.264 tors. eta vs tors. theta energy: -86.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -966.585142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.585142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.585142 (E_RNA) where: Base-Base interactions energy: -644.567 where: short stacking energy: -304.122 Base-Backbone interact. energy: -0.317 local terms energy: -321.701355 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -68.814 flat angles C4'-P-C4' energy: -75.123 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: -81.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -960.350550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.350550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.350550 (E_RNA) where: Base-Base interactions energy: -658.878 where: short stacking energy: -282.146 Base-Backbone interact. energy: 2.255 local terms energy: -303.727126 where: bonds (distance) C4'-P energy: -64.114 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -63.670 flat angles P-C4'-P energy: -41.603 tors. eta vs tors. theta energy: -71.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -814.142460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.142460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.142460 (E_RNA) where: Base-Base interactions energy: -526.091 where: short stacking energy: -258.748 Base-Backbone interact. energy: 3.055 local terms energy: -291.107097 where: bonds (distance) C4'-P energy: -50.274 bonds (distance) P-C4' energy: -64.546 flat angles C4'-P-C4' energy: -67.053 flat angles P-C4'-P energy: -40.688 tors. eta vs tors. theta energy: -68.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -761.969422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.969422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.969422 (E_RNA) where: Base-Base interactions energy: -492.716 where: short stacking energy: -212.808 Base-Backbone interact. energy: -1.158 local terms energy: -268.095965 where: bonds (distance) C4'-P energy: -63.814 bonds (distance) P-C4' energy: -64.429 flat angles C4'-P-C4' energy: -45.860 flat angles P-C4'-P energy: -41.167 tors. eta vs tors. theta energy: -52.826 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: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -649.387366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.387366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.387366 (E_RNA) where: Base-Base interactions energy: -413.149 where: short stacking energy: -179.240 Base-Backbone interact. energy: -2.674 local terms energy: -233.564453 where: bonds (distance) C4'-P energy: -61.634 bonds (distance) P-C4' energy: -54.550 flat angles C4'-P-C4' energy: -36.957 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -44.011 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: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -517.026825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.026825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.026825 (E_RNA) where: Base-Base interactions energy: -310.338 where: short stacking energy: -148.742 Base-Backbone interact. energy: 0.656 local terms energy: -207.343920 where: bonds (distance) C4'-P energy: -44.006 bonds (distance) P-C4' energy: -45.866 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: -21.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -289.592061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.592061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.592061 (E_RNA) where: Base-Base interactions energy: -102.580 where: short stacking energy: -72.607 Base-Backbone interact. energy: -1.476 local terms energy: -185.535755 where: bonds (distance) C4'-P energy: -47.505 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -51.312 flat angles P-C4'-P energy: -24.312 tors. eta vs tors. theta energy: 4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -264.796557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.796557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.796557 (E_RNA) where: Base-Base interactions energy: -82.968 where: short stacking energy: -57.893 Base-Backbone interact. energy: -0.163 local terms energy: -181.665198 where: bonds (distance) C4'-P energy: -63.545 bonds (distance) P-C4' energy: -49.824 flat angles C4'-P-C4' energy: -40.368 flat angles P-C4'-P energy: -33.348 tors. eta vs tors. theta energy: 5.419 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: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1038.259220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.259220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.259220 (E_RNA) where: Base-Base interactions energy: -704.856 where: short stacking energy: -313.128 Base-Backbone interact. energy: -1.290 local terms energy: -332.113184 where: bonds (distance) C4'-P energy: -74.802 bonds (distance) P-C4' energy: -65.826 flat angles C4'-P-C4' energy: -63.767 flat angles P-C4'-P energy: -40.513 tors. eta vs tors. theta energy: -87.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -978.344828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.344828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.344828 (E_RNA) where: Base-Base interactions energy: -665.724 where: short stacking energy: -294.194 Base-Backbone interact. energy: -0.514 local terms energy: -312.106549 where: bonds (distance) C4'-P energy: -59.930 bonds (distance) P-C4' energy: -64.532 flat angles C4'-P-C4' energy: -67.130 flat angles P-C4'-P energy: -45.220 tors. eta vs tors. theta energy: -75.295 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: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -963.247172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.247172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.247172 (E_RNA) where: Base-Base interactions energy: -646.328 where: short stacking energy: -273.450 Base-Backbone interact. energy: 0.805 local terms energy: -317.724711 where: bonds (distance) C4'-P energy: -64.257 bonds (distance) P-C4' energy: -65.861 flat angles C4'-P-C4' energy: -62.173 flat angles P-C4'-P energy: -47.962 tors. eta vs tors. theta energy: -77.472 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: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -924.727980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.727980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.727980 (E_RNA) where: Base-Base interactions energy: -630.021 where: short stacking energy: -282.085 Base-Backbone interact. energy: -0.598 local terms energy: -294.108730 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -51.096 flat angles C4'-P-C4' energy: -68.827 flat angles P-C4'-P energy: -44.877 tors. eta vs tors. theta energy: -69.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -830.012544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.012544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.012544 (E_RNA) where: Base-Base interactions energy: -545.882 where: short stacking energy: -260.812 Base-Backbone interact. energy: -0.667 local terms energy: -283.462990 where: bonds (distance) C4'-P energy: -55.263 bonds (distance) P-C4' energy: -63.343 flat angles C4'-P-C4' energy: -57.787 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -60.559 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: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -757.152468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.152468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.152468 (E_RNA) where: Base-Base interactions energy: -487.112 where: short stacking energy: -225.231 Base-Backbone interact. energy: -0.650 local terms energy: -269.390494 where: bonds (distance) C4'-P energy: -49.567 bonds (distance) P-C4' energy: -62.029 flat angles C4'-P-C4' energy: -61.048 flat angles P-C4'-P energy: -38.264 tors. eta vs tors. theta energy: -58.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -632.639991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.639991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.639991 (E_RNA) where: Base-Base interactions energy: -395.538 where: short stacking energy: -194.891 Base-Backbone interact. energy: -0.773 local terms energy: -236.328336 where: bonds (distance) C4'-P energy: -52.917 bonds (distance) P-C4' energy: -64.020 flat angles C4'-P-C4' energy: -46.403 flat angles P-C4'-P energy: -37.249 tors. eta vs tors. theta energy: -35.741 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: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -492.058674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.058674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.058674 (E_RNA) where: Base-Base interactions energy: -294.008 where: short stacking energy: -142.646 Base-Backbone interact. energy: -0.578 local terms energy: -197.472512 where: bonds (distance) C4'-P energy: -54.981 bonds (distance) P-C4' energy: -44.718 flat angles C4'-P-C4' energy: -49.308 flat angles P-C4'-P energy: -35.841 tors. eta vs tors. theta energy: -12.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -301.114979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.114979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.114979 (E_RNA) where: Base-Base interactions energy: -94.755 where: short stacking energy: -85.399 Base-Backbone interact. energy: -2.192 local terms energy: -204.168358 where: bonds (distance) C4'-P energy: -57.984 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -38.307 flat angles P-C4'-P energy: -33.284 tors. eta vs tors. theta energy: -10.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -268.166739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.166739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.166739 (E_RNA) where: Base-Base interactions energy: -105.325 where: short stacking energy: -80.260 Base-Backbone interact. energy: -0.649 local terms energy: -162.193164 where: bonds (distance) C4'-P energy: -51.921 bonds (distance) P-C4' energy: -44.978 flat angles C4'-P-C4' energy: -49.830 flat angles P-C4'-P energy: -24.532 tors. eta vs tors. theta energy: 9.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1059.856641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.856641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.856641 (E_RNA) where: Base-Base interactions energy: -717.561 where: short stacking energy: -306.817 Base-Backbone interact. energy: -2.826 local terms energy: -339.469056 where: bonds (distance) C4'-P energy: -69.390 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -73.664 flat angles P-C4'-P energy: -39.854 tors. eta vs tors. theta energy: -91.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -975.825321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.825321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.825321 (E_RNA) where: Base-Base interactions energy: -655.978 where: short stacking energy: -285.547 Base-Backbone interact. energy: -0.716 local terms energy: -319.131573 where: bonds (distance) C4'-P energy: -63.576 bonds (distance) P-C4' energy: -62.789 flat angles C4'-P-C4' energy: -72.885 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -78.060 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: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -944.926969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.926969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.926969 (E_RNA) where: Base-Base interactions energy: -630.529 where: short stacking energy: -288.388 Base-Backbone interact. energy: -0.326 local terms energy: -314.071875 where: bonds (distance) C4'-P energy: -62.076 bonds (distance) P-C4' energy: -56.068 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -49.642 tors. eta vs tors. theta energy: -75.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -912.194851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.194851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.194851 (E_RNA) where: Base-Base interactions energy: -610.433 where: short stacking energy: -274.667 Base-Backbone interact. energy: -0.984 local terms energy: -300.777319 where: bonds (distance) C4'-P energy: -54.295 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -58.450 flat angles P-C4'-P energy: -47.403 tors. eta vs tors. theta energy: -73.901 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: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -834.313305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.313305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.313305 (E_RNA) where: Base-Base interactions energy: -544.491 where: short stacking energy: -247.201 Base-Backbone interact. energy: -0.587 local terms energy: -289.235030 where: bonds (distance) C4'-P energy: -57.232 bonds (distance) P-C4' energy: -61.349 flat angles C4'-P-C4' energy: -68.032 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -58.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -756.904102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.904102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.904102 (E_RNA) where: Base-Base interactions energy: -479.242 where: short stacking energy: -217.833 Base-Backbone interact. energy: -0.350 local terms energy: -277.311445 where: bonds (distance) C4'-P energy: -53.697 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -65.738 flat angles P-C4'-P energy: -36.747 tors. eta vs tors. theta energy: -53.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -668.424271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.424271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.424271 (E_RNA) where: Base-Base interactions energy: -418.127 where: short stacking energy: -200.437 Base-Backbone interact. energy: 0.069 local terms energy: -250.365780 where: bonds (distance) C4'-P energy: -65.200 bonds (distance) P-C4' energy: -61.239 flat angles C4'-P-C4' energy: -52.829 flat angles P-C4'-P energy: -23.286 tors. eta vs tors. theta energy: -47.813 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: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -446.054594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.054594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.054594 (E_RNA) where: Base-Base interactions energy: -247.399 where: short stacking energy: -128.323 Base-Backbone interact. energy: 0.316 local terms energy: -198.971507 where: bonds (distance) C4'-P energy: -47.903 bonds (distance) P-C4' energy: -56.105 flat angles C4'-P-C4' energy: -50.486 flat angles P-C4'-P energy: -27.586 tors. eta vs tors. theta energy: -16.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -302.337902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.337902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.337902 (E_RNA) where: Base-Base interactions energy: -100.953 where: short stacking energy: -74.048 Base-Backbone interact. energy: -0.954 local terms energy: -200.431575 where: bonds (distance) C4'-P energy: -51.755 bonds (distance) P-C4' energy: -64.629 flat angles C4'-P-C4' energy: -49.653 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: 5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -290.952779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.952779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.952779 (E_RNA) where: Base-Base interactions energy: -106.282 where: short stacking energy: -89.264 Base-Backbone interact. energy: -0.171 local terms energy: -184.500513 where: bonds (distance) C4'-P energy: -47.864 bonds (distance) P-C4' energy: -55.187 flat angles C4'-P-C4' energy: -36.306 flat angles P-C4'-P energy: -32.844 tors. eta vs tors. theta energy: -12.299 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: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1051.081386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.081386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.081386 (E_RNA) where: Base-Base interactions energy: -713.429 where: short stacking energy: -307.318 Base-Backbone interact. energy: -1.514 local terms energy: -336.137865 where: bonds (distance) C4'-P energy: -65.896 bonds (distance) P-C4' energy: -68.999 flat angles C4'-P-C4' energy: -74.085 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -79.161 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: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1011.820211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.820211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.820211 (E_RNA) where: Base-Base interactions energy: -691.203 where: short stacking energy: -310.671 Base-Backbone interact. energy: -1.068 local terms energy: -319.548638 where: bonds (distance) C4'-P energy: -62.969 bonds (distance) P-C4' energy: -60.037 flat angles C4'-P-C4' energy: -70.045 flat angles P-C4'-P energy: -40.581 tors. eta vs tors. theta energy: -85.917 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: 262 Temperature: 1.000000 Total energy: -964.723772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.723772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.723772 (E_RNA) where: Base-Base interactions energy: -662.625 where: short stacking energy: -280.823 Base-Backbone interact. energy: -1.022 local terms energy: -301.077028 where: bonds (distance) C4'-P energy: -60.424 bonds (distance) P-C4' energy: -58.717 flat angles C4'-P-C4' energy: -62.841 flat angles P-C4'-P energy: -41.837 tors. eta vs tors. theta energy: -77.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -920.451086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.451086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.451086 (E_RNA) where: Base-Base interactions energy: -603.298 where: short stacking energy: -268.905 Base-Backbone interact. energy: 1.956 local terms energy: -319.109527 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -69.232 flat angles C4'-P-C4' energy: -64.973 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -71.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -822.339010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.339010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.339010 (E_RNA) where: Base-Base interactions energy: -526.770 where: short stacking energy: -247.198 Base-Backbone interact. energy: -0.487 local terms energy: -295.082399 where: bonds (distance) C4'-P energy: -55.780 bonds (distance) P-C4' energy: -71.327 flat angles C4'-P-C4' energy: -60.177 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: -65.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -758.697155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.697155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.697155 (E_RNA) where: Base-Base interactions energy: -487.000 where: short stacking energy: -233.715 Base-Backbone interact. energy: -1.332 local terms energy: -270.364990 where: bonds (distance) C4'-P energy: -54.317 bonds (distance) P-C4' energy: -62.741 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -31.204 tors. eta vs tors. theta energy: -60.150 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: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -663.690464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.690464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.690464 (E_RNA) where: Base-Base interactions energy: -409.837 where: short stacking energy: -191.360 Base-Backbone interact. energy: 6.228 local terms energy: -260.080894 where: bonds (distance) C4'-P energy: -49.388 bonds (distance) P-C4' energy: -62.500 flat angles C4'-P-C4' energy: -55.086 flat angles P-C4'-P energy: -46.580 tors. eta vs tors. theta energy: -46.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -465.803201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.803201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.803201 (E_RNA) where: Base-Base interactions energy: -246.528 where: short stacking energy: -142.812 Base-Backbone interact. energy: -0.154 local terms energy: -219.121661 where: bonds (distance) C4'-P energy: -46.351 bonds (distance) P-C4' energy: -55.256 flat angles C4'-P-C4' energy: -60.230 flat angles P-C4'-P energy: -30.570 tors. eta vs tors. theta energy: -26.714 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: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -305.275171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.275171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.275171 (E_RNA) where: Base-Base interactions energy: -118.159 where: short stacking energy: -100.691 Base-Backbone interact. energy: -0.639 local terms energy: -186.476814 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -64.603 flat angles C4'-P-C4' energy: -35.152 flat angles P-C4'-P energy: -24.167 tors. eta vs tors. theta energy: -8.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -258.791175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.791175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.791175 (E_RNA) where: Base-Base interactions energy: -78.536 where: short stacking energy: -73.577 Base-Backbone interact. energy: 1.915 local terms energy: -182.170422 where: bonds (distance) C4'-P energy: -53.020 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -40.128 flat angles P-C4'-P energy: -33.395 tors. eta vs tors. theta energy: 3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1072.510000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.510000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.510000 (E_RNA) where: Base-Base interactions energy: -728.021 where: short stacking energy: -323.351 Base-Backbone interact. energy: -0.187 local terms energy: -344.301813 where: bonds (distance) C4'-P energy: -62.356 bonds (distance) P-C4' energy: -70.365 flat angles C4'-P-C4' energy: -74.896 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: -92.510 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: 263 Temperature: 0.950000 Total energy: -995.211687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.211687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.211687 (E_RNA) where: Base-Base interactions energy: -658.352 where: short stacking energy: -294.267 Base-Backbone interact. energy: -0.696 local terms energy: -336.163870 where: bonds (distance) C4'-P energy: -71.488 bonds (distance) P-C4' energy: -71.537 flat angles C4'-P-C4' energy: -61.578 flat angles P-C4'-P energy: -44.204 tors. eta vs tors. theta energy: -87.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -962.238936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.238936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.238936 (E_RNA) where: Base-Base interactions energy: -659.066 where: short stacking energy: -292.935 Base-Backbone interact. energy: -0.117 local terms energy: -303.055740 where: bonds (distance) C4'-P energy: -58.871 bonds (distance) P-C4' energy: -52.511 flat angles C4'-P-C4' energy: -71.988 flat angles P-C4'-P energy: -47.510 tors. eta vs tors. theta energy: -72.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -899.320132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.320132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.320132 (E_RNA) where: Base-Base interactions energy: -599.431 where: short stacking energy: -268.573 Base-Backbone interact. energy: -2.359 local terms energy: -297.530432 where: bonds (distance) C4'-P energy: -63.654 bonds (distance) P-C4' energy: -53.500 flat angles C4'-P-C4' energy: -62.420 flat angles P-C4'-P energy: -39.601 tors. eta vs tors. theta energy: -78.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -823.980449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.980449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.980449 (E_RNA) where: Base-Base interactions energy: -509.134 where: short stacking energy: -243.469 Base-Backbone interact. energy: -2.100 local terms energy: -312.747040 where: bonds (distance) C4'-P energy: -59.060 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -60.314 flat angles P-C4'-P energy: -47.844 tors. eta vs tors. theta energy: -82.844 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: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -676.030164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.030164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.030164 (E_RNA) where: Base-Base interactions energy: -423.608 where: short stacking energy: -188.637 Base-Backbone interact. energy: -0.860 local terms energy: -251.562756 where: bonds (distance) C4'-P energy: -55.936 bonds (distance) P-C4' energy: -51.977 flat angles C4'-P-C4' energy: -59.947 flat angles P-C4'-P energy: -44.122 tors. eta vs tors. theta energy: -39.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -705.814294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.814294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.814294 (E_RNA) where: Base-Base interactions energy: -461.425 where: short stacking energy: -216.081 Base-Backbone interact. energy: -1.236 local terms energy: -243.152430 where: bonds (distance) C4'-P energy: -43.921 bonds (distance) P-C4' energy: -47.751 flat angles C4'-P-C4' energy: -56.575 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -50.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -456.827410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.827410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.827410 (E_RNA) where: Base-Base interactions energy: -245.160 where: short stacking energy: -133.975 Base-Backbone interact. energy: -2.498 local terms energy: -209.169280 where: bonds (distance) C4'-P energy: -50.791 bonds (distance) P-C4' energy: -52.230 flat angles C4'-P-C4' energy: -53.906 flat angles P-C4'-P energy: -38.733 tors. eta vs tors. theta energy: -13.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -303.371750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.371750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.371750 (E_RNA) where: Base-Base interactions energy: -130.601 where: short stacking energy: -99.741 Base-Backbone interact. energy: 1.845 local terms energy: -174.615866 where: bonds (distance) C4'-P energy: -40.991 bonds (distance) P-C4' energy: -59.467 flat angles C4'-P-C4' energy: -44.567 flat angles P-C4'-P energy: -19.207 tors. eta vs tors. theta energy: -10.385 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: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -300.571966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.571966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.571966 (E_RNA) where: Base-Base interactions energy: -134.172 where: short stacking energy: -86.538 Base-Backbone interact. energy: 0.320 local terms energy: -166.720341 where: bonds (distance) C4'-P energy: -56.104 bonds (distance) P-C4' energy: -49.794 flat angles C4'-P-C4' energy: -47.474 flat angles P-C4'-P energy: -23.037 tors. eta vs tors. theta energy: 9.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1044.398589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.398589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.398589 (E_RNA) where: Base-Base interactions energy: -724.742 where: short stacking energy: -317.424 Base-Backbone interact. energy: -1.715 local terms energy: -317.941833 where: bonds (distance) C4'-P energy: -48.682 bonds (distance) P-C4' energy: -64.929 flat angles C4'-P-C4' energy: -70.293 flat angles P-C4'-P energy: -45.433 tors. eta vs tors. theta energy: -88.604 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: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1006.412850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.412850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.412850 (E_RNA) where: Base-Base interactions energy: -693.337 where: short stacking energy: -281.582 Base-Backbone interact. energy: -1.600 local terms energy: -311.475315 where: bonds (distance) C4'-P energy: -63.292 bonds (distance) P-C4' energy: -58.981 flat angles C4'-P-C4' energy: -69.566 flat angles P-C4'-P energy: -37.906 tors. eta vs tors. theta energy: -81.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -954.946014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.946014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.946014 (E_RNA) where: Base-Base interactions energy: -636.748 where: short stacking energy: -288.668 Base-Backbone interact. energy: -1.064 local terms energy: -317.134380 where: bonds (distance) C4'-P energy: -63.504 bonds (distance) P-C4' energy: -67.644 flat angles C4'-P-C4' energy: -59.478 flat angles P-C4'-P energy: -46.794 tors. eta vs tors. theta energy: -79.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -920.554527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.554527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.554527 (E_RNA) where: Base-Base interactions energy: -623.683 where: short stacking energy: -263.005 Base-Backbone interact. energy: 0.656 local terms energy: -297.527443 where: bonds (distance) C4'-P energy: -60.099 bonds (distance) P-C4' energy: -53.268 flat angles C4'-P-C4' energy: -61.704 flat angles P-C4'-P energy: -48.046 tors. eta vs tors. theta energy: -74.411 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: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -834.718650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.718650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.718650 (E_RNA) where: Base-Base interactions energy: -536.796 where: short stacking energy: -271.274 Base-Backbone interact. energy: -0.320 local terms energy: -297.603361 where: bonds (distance) C4'-P energy: -50.383 bonds (distance) P-C4' energy: -57.787 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -43.937 tors. eta vs tors. theta energy: -77.022 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: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -668.740650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.740650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.740650 (E_RNA) where: Base-Base interactions energy: -401.076 where: short stacking energy: -190.906 Base-Backbone interact. energy: -2.462 local terms energy: -265.202829 where: bonds (distance) C4'-P energy: -63.695 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -64.221 flat angles P-C4'-P energy: -31.857 tors. eta vs tors. theta energy: -43.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -721.544850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.544850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.544850 (E_RNA) where: Base-Base interactions energy: -471.877 where: short stacking energy: -223.859 Base-Backbone interact. energy: -1.584 local terms energy: -248.083002 where: bonds (distance) C4'-P energy: -50.895 bonds (distance) P-C4' energy: -57.877 flat angles C4'-P-C4' energy: -53.174 flat angles P-C4'-P energy: -33.301 tors. eta vs tors. theta energy: -52.836 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: 264 Temperature: 1.250000 Total energy: -496.519341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.519341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.519341 (E_RNA) where: Base-Base interactions energy: -282.137 where: short stacking energy: -143.544 Base-Backbone interact. energy: 1.743 local terms energy: -216.125537 where: bonds (distance) C4'-P energy: -53.949 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -43.467 flat angles P-C4'-P energy: -29.588 tors. eta vs tors. theta energy: -25.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -297.780995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.780995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.780995 (E_RNA) where: Base-Base interactions energy: -103.874 where: short stacking energy: -83.884 Base-Backbone interact. energy: -0.980 local terms energy: -192.926440 where: bonds (distance) C4'-P energy: -57.936 bonds (distance) P-C4' energy: -53.039 flat angles C4'-P-C4' energy: -44.786 flat angles P-C4'-P energy: -30.922 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -297.490102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.490102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.490102 (E_RNA) where: Base-Base interactions energy: -116.465 where: short stacking energy: -101.878 Base-Backbone interact. energy: -0.425 local terms energy: -180.599949 where: bonds (distance) C4'-P energy: -49.668 bonds (distance) P-C4' energy: -51.079 flat angles C4'-P-C4' energy: -50.858 flat angles P-C4'-P energy: -25.302 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1046.636783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.636783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.636783 (E_RNA) where: Base-Base interactions energy: -710.882 where: short stacking energy: -323.114 Base-Backbone interact. energy: -0.156 local terms energy: -335.597959 where: bonds (distance) C4'-P energy: -60.599 bonds (distance) P-C4' energy: -62.423 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -49.538 tors. eta vs tors. theta energy: -93.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1013.726509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.726509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.726509 (E_RNA) where: Base-Base interactions energy: -694.174 where: short stacking energy: -317.017 Base-Backbone interact. energy: 0.449 local terms energy: -320.000955 where: bonds (distance) C4'-P energy: -63.234 bonds (distance) P-C4' energy: -59.664 flat angles C4'-P-C4' energy: -66.618 flat angles P-C4'-P energy: -46.561 tors. eta vs tors. theta energy: -83.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -972.100645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.100645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.100645 (E_RNA) where: Base-Base interactions energy: -654.863 where: short stacking energy: -294.495 Base-Backbone interact. energy: -1.083 local terms energy: -316.155032 where: bonds (distance) C4'-P energy: -63.483 bonds (distance) P-C4' energy: -62.801 flat angles C4'-P-C4' energy: -65.271 flat angles P-C4'-P energy: -44.645 tors. eta vs tors. theta energy: -79.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -929.866576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.866576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.866576 (E_RNA) where: Base-Base interactions energy: -625.112 where: short stacking energy: -279.393 Base-Backbone interact. energy: -0.403 local terms energy: -304.351445 where: bonds (distance) C4'-P energy: -50.500 bonds (distance) P-C4' energy: -66.410 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -79.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -826.006131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.006131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.006131 (E_RNA) where: Base-Base interactions energy: -545.331 where: short stacking energy: -236.387 Base-Backbone interact. energy: -0.760 local terms energy: -279.915262 where: bonds (distance) C4'-P energy: -52.700 bonds (distance) P-C4' energy: -60.793 flat angles C4'-P-C4' energy: -55.490 flat angles P-C4'-P energy: -49.928 tors. eta vs tors. theta energy: -61.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -737.136024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.136024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.136024 (E_RNA) where: Base-Base interactions energy: -477.339 where: short stacking energy: -220.293 Base-Backbone interact. energy: -1.537 local terms energy: -258.260650 where: bonds (distance) C4'-P energy: -46.718 bonds (distance) P-C4' energy: -63.576 flat angles C4'-P-C4' energy: -62.979 flat angles P-C4'-P energy: -36.625 tors. eta vs tors. theta energy: -48.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -634.264262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.264262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.264262 (E_RNA) where: Base-Base interactions energy: -401.443 where: short stacking energy: -177.933 Base-Backbone interact. energy: 1.687 local terms energy: -234.508218 where: bonds (distance) C4'-P energy: -56.896 bonds (distance) P-C4' energy: -67.565 flat angles C4'-P-C4' energy: -52.564 flat angles P-C4'-P energy: -31.290 tors. eta vs tors. theta energy: -26.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -532.879646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.879646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.879646 (E_RNA) where: Base-Base interactions energy: -316.783 where: short stacking energy: -162.843 Base-Backbone interact. energy: 3.954 local terms energy: -220.050392 where: bonds (distance) C4'-P energy: -57.219 bonds (distance) P-C4' energy: -65.613 flat angles C4'-P-C4' energy: -45.303 flat angles P-C4'-P energy: -39.116 tors. eta vs tors. theta energy: -12.800 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: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -275.858153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.858153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.858153 (E_RNA) where: Base-Base interactions energy: -93.869 where: short stacking energy: -74.521 Base-Backbone interact. energy: 2.295 local terms energy: -184.284663 where: bonds (distance) C4'-P energy: -63.016 bonds (distance) P-C4' energy: -54.009 flat angles C4'-P-C4' energy: -44.665 flat angles P-C4'-P energy: -26.109 tors. eta vs tors. theta energy: 3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -272.805102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.805102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.805102 (E_RNA) where: Base-Base interactions energy: -102.506 where: short stacking energy: -80.603 Base-Backbone interact. energy: 2.540 local terms energy: -172.839049 where: bonds (distance) C4'-P energy: -49.147 bonds (distance) P-C4' energy: -63.001 flat angles C4'-P-C4' energy: -42.939 flat angles P-C4'-P energy: -23.911 tors. eta vs tors. theta energy: 6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1074.826083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.826083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.826083 (E_RNA) where: Base-Base interactions energy: -726.392 where: short stacking energy: -328.801 Base-Backbone interact. energy: -2.792 local terms energy: -345.642181 where: bonds (distance) C4'-P energy: -59.782 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -76.618 flat angles P-C4'-P energy: -44.004 tors. eta vs tors. theta energy: -97.676 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: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -995.843631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.843631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.843631 (E_RNA) where: Base-Base interactions energy: -671.318 where: short stacking energy: -286.794 Base-Backbone interact. energy: 0.299 local terms energy: -324.824966 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -61.582 flat angles C4'-P-C4' energy: -69.992 flat angles P-C4'-P energy: -48.431 tors. eta vs tors. theta energy: -80.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -972.138055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.138055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.138055 (E_RNA) where: Base-Base interactions energy: -654.147 where: short stacking energy: -295.567 Base-Backbone interact. energy: -0.003 local terms energy: -317.988831 where: bonds (distance) C4'-P energy: -59.341 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -64.139 flat angles P-C4'-P energy: -43.149 tors. eta vs tors. theta energy: -86.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -924.384743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.384743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.384743 (E_RNA) where: Base-Base interactions energy: -596.847 where: short stacking energy: -282.079 Base-Backbone interact. energy: 2.381 local terms energy: -329.918984 where: bonds (distance) C4'-P energy: -57.607 bonds (distance) P-C4' energy: -65.035 flat angles C4'-P-C4' energy: -69.324 flat angles P-C4'-P energy: -53.237 tors. eta vs tors. theta energy: -84.716 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: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -759.121993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.121993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.121993 (E_RNA) where: Base-Base interactions energy: -509.201 where: short stacking energy: -250.815 Base-Backbone interact. energy: 0.410 local terms energy: -250.330137 where: bonds (distance) C4'-P energy: -49.205 bonds (distance) P-C4' energy: -61.387 flat angles C4'-P-C4' energy: -56.124 flat angles P-C4'-P energy: -24.391 tors. eta vs tors. theta energy: -59.222 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: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -825.419155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.419155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.419155 (E_RNA) where: Base-Base interactions energy: -552.093 where: short stacking energy: -235.956 Base-Backbone interact. energy: -0.794 local terms energy: -272.531636 where: bonds (distance) C4'-P energy: -47.440 bonds (distance) P-C4' energy: -54.854 flat angles C4'-P-C4' energy: -58.806 flat angles P-C4'-P energy: -39.948 tors. eta vs tors. theta energy: -71.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -677.125751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.125751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.125751 (E_RNA) where: Base-Base interactions energy: -435.792 where: short stacking energy: -204.442 Base-Backbone interact. energy: -2.329 local terms energy: -239.004443 where: bonds (distance) C4'-P energy: -43.393 bonds (distance) P-C4' energy: -54.314 flat angles C4'-P-C4' energy: -59.113 flat angles P-C4'-P energy: -29.162 tors. eta vs tors. theta energy: -53.023 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: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -480.993856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.993856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.993856 (E_RNA) where: Base-Base interactions energy: -271.710 where: short stacking energy: -143.640 Base-Backbone interact. energy: 1.344 local terms energy: -210.627844 where: bonds (distance) C4'-P energy: -56.800 bonds (distance) P-C4' energy: -57.168 flat angles C4'-P-C4' energy: -50.965 flat angles P-C4'-P energy: -31.187 tors. eta vs tors. theta energy: -14.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -303.374793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.374793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.374793 (E_RNA) where: Base-Base interactions energy: -139.657 where: short stacking energy: -100.277 Base-Backbone interact. energy: -0.453 local terms energy: -163.264534 where: bonds (distance) C4'-P energy: -56.103 bonds (distance) P-C4' energy: -38.288 flat angles C4'-P-C4' energy: -32.460 flat angles P-C4'-P energy: -33.705 tors. eta vs tors. theta energy: -2.708 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: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -271.969025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.969025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.969025 (E_RNA) where: Base-Base interactions energy: -100.272 where: short stacking energy: -82.941 Base-Backbone interact. energy: -1.621 local terms energy: -170.076148 where: bonds (distance) C4'-P energy: -53.329 bonds (distance) P-C4' energy: -61.040 flat angles C4'-P-C4' energy: -38.957 flat angles P-C4'-P energy: -25.585 tors. eta vs tors. theta energy: 8.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1064.564130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.564130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.564130 (E_RNA) where: Base-Base interactions energy: -733.435 where: short stacking energy: -332.549 Base-Backbone interact. energy: -1.948 local terms energy: -329.181544 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -68.640 flat angles P-C4'-P energy: -40.188 tors. eta vs tors. theta energy: -91.623 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: 267 Temperature: 0.950000 Total energy: -998.111294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.111294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.111294 (E_RNA) where: Base-Base interactions energy: -659.987 where: short stacking energy: -285.344 Base-Backbone interact. energy: -0.197 local terms energy: -337.927824 where: bonds (distance) C4'-P energy: -68.959 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -74.116 flat angles P-C4'-P energy: -56.086 tors. eta vs tors. theta energy: -74.570 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: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -972.867768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.867768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.867768 (E_RNA) where: Base-Base interactions energy: -665.445 where: short stacking energy: -283.123 Base-Backbone interact. energy: 1.760 local terms energy: -309.181908 where: bonds (distance) C4'-P energy: -57.895 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -74.765 flat angles P-C4'-P energy: -42.972 tors. eta vs tors. theta energy: -76.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -891.831622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.831622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.831622 (E_RNA) where: Base-Base interactions energy: -583.174 where: short stacking energy: -268.462 Base-Backbone interact. energy: -1.363 local terms energy: -307.295281 where: bonds (distance) C4'-P energy: -66.987 bonds (distance) P-C4' energy: -70.800 flat angles C4'-P-C4' energy: -62.326 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -61.798 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: 6 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -750.097218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.097218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.097218 (E_RNA) where: Base-Base interactions energy: -490.805 where: short stacking energy: -216.375 Base-Backbone interact. energy: -2.408 local terms energy: -256.884481 where: bonds (distance) C4'-P energy: -46.439 bonds (distance) P-C4' energy: -59.820 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -36.675 tors. eta vs tors. theta energy: -47.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -815.436327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.436327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.436327 (E_RNA) where: Base-Base interactions energy: -518.406 where: short stacking energy: -229.438 Base-Backbone interact. energy: 0.023 local terms energy: -297.053455 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -61.407 flat angles C4'-P-C4' energy: -68.416 flat angles P-C4'-P energy: -42.597 tors. eta vs tors. theta energy: -64.855 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: 267 Temperature: 1.200000 Total energy: -652.012089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.012089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.012089 (E_RNA) where: Base-Base interactions energy: -402.998 where: short stacking energy: -192.430 Base-Backbone interact. energy: -0.807 local terms energy: -248.207448 where: bonds (distance) C4'-P energy: -46.055 bonds (distance) P-C4' energy: -56.957 flat angles C4'-P-C4' energy: -60.414 flat angles P-C4'-P energy: -37.181 tors. eta vs tors. theta energy: -47.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -533.122604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.122604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.122604 (E_RNA) where: Base-Base interactions energy: -306.094 where: short stacking energy: -165.381 Base-Backbone interact. energy: 4.582 local terms energy: -231.610500 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -43.198 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -32.011 tors. eta vs tors. theta energy: -34.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -294.305804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.305804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.305804 (E_RNA) where: Base-Base interactions energy: -107.364 where: short stacking energy: -102.956 Base-Backbone interact. energy: -0.415 local terms energy: -186.526159 where: bonds (distance) C4'-P energy: -43.180 bonds (distance) P-C4' energy: -54.553 flat angles C4'-P-C4' energy: -57.005 flat angles P-C4'-P energy: -40.586 tors. eta vs tors. theta energy: 8.798 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: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -259.394295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.394295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.394295 (E_RNA) where: Base-Base interactions energy: -84.171 where: short stacking energy: -62.130 Base-Backbone interact. energy: -0.113 local terms energy: -175.110323 where: bonds (distance) C4'-P energy: -45.885 bonds (distance) P-C4' energy: -51.870 flat angles C4'-P-C4' energy: -58.685 flat angles P-C4'-P energy: -32.084 tors. eta vs tors. theta energy: 13.414 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: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1021.766624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.766624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.766624 (E_RNA) where: Base-Base interactions energy: -686.654 where: short stacking energy: -292.874 Base-Backbone interact. energy: -0.866 local terms energy: -334.246360 where: bonds (distance) C4'-P energy: -72.168 bonds (distance) P-C4' energy: -69.490 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -44.573 tors. eta vs tors. theta energy: -77.400 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: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1038.113879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.113879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.113879 (E_RNA) where: Base-Base interactions energy: -707.389 where: short stacking energy: -324.878 Base-Backbone interact. energy: -3.158 local terms energy: -327.567103 where: bonds (distance) C4'-P energy: -60.306 bonds (distance) P-C4' energy: -52.449 flat angles C4'-P-C4' energy: -73.632 flat angles P-C4'-P energy: -49.572 tors. eta vs tors. theta energy: -91.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -953.197883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.197883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.197883 (E_RNA) where: Base-Base interactions energy: -644.562 where: short stacking energy: -275.776 Base-Backbone interact. energy: -0.811 local terms energy: -307.825174 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -59.795 flat angles C4'-P-C4' energy: -70.472 flat angles P-C4'-P energy: -47.336 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: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -914.936720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.936720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.936720 (E_RNA) where: Base-Base interactions energy: -618.355 where: short stacking energy: -283.045 Base-Backbone interact. energy: 0.111 local terms energy: -296.693364 where: bonds (distance) C4'-P energy: -65.395 bonds (distance) P-C4' energy: -60.073 flat angles C4'-P-C4' energy: -52.845 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -77.716 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: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -833.061989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.061989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.061989 (E_RNA) where: Base-Base interactions energy: -546.634 where: short stacking energy: -247.391 Base-Backbone interact. energy: -0.433 local terms energy: -285.994556 where: bonds (distance) C4'-P energy: -50.965 bonds (distance) P-C4' energy: -63.907 flat angles C4'-P-C4' energy: -66.498 flat angles P-C4'-P energy: -44.840 tors. eta vs tors. theta energy: -59.784 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: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -717.984447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.984447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.984447 (E_RNA) where: Base-Base interactions energy: -487.168 where: short stacking energy: -191.113 Base-Backbone interact. energy: 0.627 local terms energy: -231.442650 where: bonds (distance) C4'-P energy: -59.013 bonds (distance) P-C4' energy: -52.743 flat angles C4'-P-C4' energy: -57.729 flat angles P-C4'-P energy: -24.672 tors. eta vs tors. theta energy: -37.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -557.155802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.155802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.155802 (E_RNA) where: Base-Base interactions energy: -334.840 where: short stacking energy: -176.778 Base-Backbone interact. energy: 1.397 local terms energy: -223.712312 where: bonds (distance) C4'-P energy: -59.814 bonds (distance) P-C4' energy: -57.444 flat angles C4'-P-C4' energy: -41.013 flat angles P-C4'-P energy: -34.329 tors. eta vs tors. theta energy: -31.113 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: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -636.010563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.010563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.010563 (E_RNA) where: Base-Base interactions energy: -402.358 where: short stacking energy: -183.664 Base-Backbone interact. energy: -2.724 local terms energy: -230.928530 where: bonds (distance) C4'-P energy: -39.709 bonds (distance) P-C4' energy: -65.581 flat angles C4'-P-C4' energy: -61.434 flat angles P-C4'-P energy: -23.986 tors. eta vs tors. theta energy: -40.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -288.957593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.957593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.957593 (E_RNA) where: Base-Base interactions energy: -99.095 where: short stacking energy: -87.862 Base-Backbone interact. energy: -1.099 local terms energy: -188.764287 where: bonds (distance) C4'-P energy: -51.517 bonds (distance) P-C4' energy: -69.042 flat angles C4'-P-C4' energy: -52.164 flat angles P-C4'-P energy: -21.875 tors. eta vs tors. theta energy: 5.833 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: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -283.277544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.277544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.277544 (E_RNA) where: Base-Base interactions energy: -111.784 where: short stacking energy: -96.144 Base-Backbone interact. energy: 1.601 local terms energy: -173.093978 where: bonds (distance) C4'-P energy: -42.062 bonds (distance) P-C4' energy: -59.504 flat angles C4'-P-C4' energy: -58.688 flat angles P-C4'-P energy: -26.416 tors. eta vs tors. theta energy: 13.576 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: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1026.153145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.153145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.153145 (E_RNA) where: Base-Base interactions energy: -691.883 where: short stacking energy: -300.174 Base-Backbone interact. energy: -2.676 local terms energy: -331.593830 where: bonds (distance) C4'-P energy: -56.232 bonds (distance) P-C4' energy: -68.703 flat angles C4'-P-C4' energy: -79.722 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -77.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1017.582233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.582233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.582233 (E_RNA) where: Base-Base interactions energy: -689.132 where: short stacking energy: -303.434 Base-Backbone interact. energy: -1.009 local terms energy: -327.440392 where: bonds (distance) C4'-P energy: -55.176 bonds (distance) P-C4' energy: -72.902 flat angles C4'-P-C4' energy: -67.274 flat angles P-C4'-P energy: -50.222 tors. eta vs tors. theta energy: -81.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -976.746965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.746965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.746965 (E_RNA) where: Base-Base interactions energy: -653.232 where: short stacking energy: -279.519 Base-Backbone interact. energy: -3.317 local terms energy: -320.198059 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -65.878 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -78.032 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: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -889.793892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.793892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.793892 (E_RNA) where: Base-Base interactions energy: -579.223 where: short stacking energy: -264.584 Base-Backbone interact. energy: -1.369 local terms energy: -309.202099 where: bonds (distance) C4'-P energy: -55.491 bonds (distance) P-C4' energy: -68.699 flat angles C4'-P-C4' energy: -61.659 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -78.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -907.685816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.685816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.685816 (E_RNA) where: Base-Base interactions energy: -604.983 where: short stacking energy: -275.732 Base-Backbone interact. energy: 0.504 local terms energy: -303.207017 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -58.304 flat angles C4'-P-C4' energy: -65.010 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -80.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -718.903484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.903484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.903484 (E_RNA) where: Base-Base interactions energy: -459.029 where: short stacking energy: -220.494 Base-Backbone interact. energy: -0.675 local terms energy: -259.198608 where: bonds (distance) C4'-P energy: -55.906 bonds (distance) P-C4' energy: -62.551 flat angles C4'-P-C4' energy: -54.663 flat angles P-C4'-P energy: -37.152 tors. eta vs tors. theta energy: -48.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -541.904181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.904181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.904181 (E_RNA) where: Base-Base interactions energy: -296.156 where: short stacking energy: -139.621 Base-Backbone interact. energy: -2.444 local terms energy: -243.304119 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -53.774 flat angles P-C4'-P energy: -37.716 tors. eta vs tors. theta energy: -18.412 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: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -646.009861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.009861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.009861 (E_RNA) where: Base-Base interactions energy: -405.984 where: short stacking energy: -208.152 Base-Backbone interact. energy: -1.393 local terms energy: -238.633060 where: bonds (distance) C4'-P energy: -38.898 bonds (distance) P-C4' energy: -54.283 flat angles C4'-P-C4' energy: -61.383 flat angles P-C4'-P energy: -36.228 tors. eta vs tors. theta energy: -47.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -323.508412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.508412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.508412 (E_RNA) where: Base-Base interactions energy: -123.824 where: short stacking energy: -100.895 Base-Backbone interact. energy: -1.359 local terms energy: -198.325068 where: bonds (distance) C4'-P energy: -62.073 bonds (distance) P-C4' energy: -58.277 flat angles C4'-P-C4' energy: -40.812 flat angles P-C4'-P energy: -30.266 tors. eta vs tors. theta energy: -6.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -258.249948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.249948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.249948 (E_RNA) where: Base-Base interactions energy: -88.691 where: short stacking energy: -74.375 Base-Backbone interact. energy: 0.191 local terms energy: -169.749944 where: bonds (distance) C4'-P energy: -53.178 bonds (distance) P-C4' energy: -57.774 flat angles C4'-P-C4' energy: -46.247 flat angles P-C4'-P energy: -19.150 tors. eta vs tors. theta energy: 6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1005.772759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.772759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.772759 (E_RNA) where: Base-Base interactions energy: -687.579 where: short stacking energy: -294.857 Base-Backbone interact. energy: 2.648 local terms energy: -320.841306 where: bonds (distance) C4'-P energy: -62.233 bonds (distance) P-C4' energy: -56.175 flat angles C4'-P-C4' energy: -77.234 flat angles P-C4'-P energy: -55.361 tors. eta vs tors. theta energy: -69.839 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: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1021.301468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.301468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.301468 (E_RNA) where: Base-Base interactions energy: -694.599 where: short stacking energy: -300.487 Base-Backbone interact. energy: -0.021 local terms energy: -326.681620 where: bonds (distance) C4'-P energy: -58.862 bonds (distance) P-C4' energy: -59.664 flat angles C4'-P-C4' energy: -73.642 flat angles P-C4'-P energy: -45.873 tors. eta vs tors. theta energy: -88.640 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: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -996.715532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.715532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.715532 (E_RNA) where: Base-Base interactions energy: -656.249 where: short stacking energy: -296.931 Base-Backbone interact. energy: -1.086 local terms energy: -339.380271 where: bonds (distance) C4'-P energy: -67.051 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -69.801 flat angles P-C4'-P energy: -52.411 tors. eta vs tors. theta energy: -89.378 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: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -860.469763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.469763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.469763 (E_RNA) where: Base-Base interactions energy: -562.056 where: short stacking energy: -268.182 Base-Backbone interact. energy: 1.207 local terms energy: -299.620487 where: bonds (distance) C4'-P energy: -59.123 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -67.021 flat angles P-C4'-P energy: -37.540 tors. eta vs tors. theta energy: -71.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -889.379291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.379291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.379291 (E_RNA) where: Base-Base interactions energy: -575.433 where: short stacking energy: -264.586 Base-Backbone interact. energy: -0.938 local terms energy: -313.007926 where: bonds (distance) C4'-P energy: -57.382 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -64.540 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: -75.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -706.677968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.677968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.677968 (E_RNA) where: Base-Base interactions energy: -458.320 where: short stacking energy: -202.862 Base-Backbone interact. energy: -0.273 local terms energy: -248.084947 where: bonds (distance) C4'-P energy: -55.869 bonds (distance) P-C4' energy: -58.431 flat angles C4'-P-C4' energy: -54.534 flat angles P-C4'-P energy: -34.102 tors. eta vs tors. theta energy: -45.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -709.852169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.852169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.852169 (E_RNA) where: Base-Base interactions energy: -428.858 where: short stacking energy: -180.807 Base-Backbone interact. energy: -1.375 local terms energy: -279.619623 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -54.864 flat angles C4'-P-C4' energy: -61.118 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -46.453 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: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -545.353893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.353893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.353893 (E_RNA) where: Base-Base interactions energy: -315.192 where: short stacking energy: -157.722 Base-Backbone interact. energy: -1.149 local terms energy: -229.012277 where: bonds (distance) C4'-P energy: -46.789 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -59.433 flat angles P-C4'-P energy: -25.426 tors. eta vs tors. theta energy: -35.493 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: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -295.536309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.536309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.536309 (E_RNA) where: Base-Base interactions energy: -104.329 where: short stacking energy: -86.992 Base-Backbone interact. energy: -1.064 local terms energy: -190.143703 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -52.152 flat angles C4'-P-C4' energy: -53.438 flat angles P-C4'-P energy: -29.128 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -292.805562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.805562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.805562 (E_RNA) where: Base-Base interactions energy: -129.867 where: short stacking energy: -106.932 Base-Backbone interact. energy: 7.034 local terms energy: -169.972697 where: bonds (distance) C4'-P energy: -42.970 bonds (distance) P-C4' energy: -53.030 flat angles C4'-P-C4' energy: -38.041 flat angles P-C4'-P energy: -28.516 tors. eta vs tors. theta energy: -7.415 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: 271 Temperature: 0.900000 Total energy: -1047.323681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.323681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.323681 (E_RNA) where: Base-Base interactions energy: -698.158 where: short stacking energy: -281.726 Base-Backbone interact. energy: 0.063 local terms energy: -349.228599 where: bonds (distance) C4'-P energy: -63.800 bonds (distance) P-C4' energy: -73.206 flat angles C4'-P-C4' energy: -76.458 flat angles P-C4'-P energy: -57.267 tors. eta vs tors. theta energy: -78.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1026.604334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.604334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.604334 (E_RNA) where: Base-Base interactions energy: -684.704 where: short stacking energy: -298.067 Base-Backbone interact. energy: -1.290 local terms energy: -340.610118 where: bonds (distance) C4'-P energy: -66.765 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -65.152 flat angles P-C4'-P energy: -52.103 tors. eta vs tors. theta energy: -90.697 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: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -971.303834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.303834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.303834 (E_RNA) where: Base-Base interactions energy: -671.835 where: short stacking energy: -294.548 Base-Backbone interact. energy: -0.521 local terms energy: -298.947728 where: bonds (distance) C4'-P energy: -55.871 bonds (distance) P-C4' energy: -55.186 flat angles C4'-P-C4' energy: -67.299 flat angles P-C4'-P energy: -42.980 tors. eta vs tors. theta energy: -77.612 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: 7 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -917.041871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.041871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.041871 (E_RNA) where: Base-Base interactions energy: -608.065 where: short stacking energy: -292.004 Base-Backbone interact. energy: -0.758 local terms energy: -308.219280 where: bonds (distance) C4'-P energy: -51.481 bonds (distance) P-C4' energy: -57.322 flat angles C4'-P-C4' energy: -71.015 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -79.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -830.467117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.467117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.467117 (E_RNA) where: Base-Base interactions energy: -534.746 where: short stacking energy: -242.389 Base-Backbone interact. energy: 1.793 local terms energy: -297.514955 where: bonds (distance) C4'-P energy: -55.340 bonds (distance) P-C4' energy: -65.374 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -68.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -716.001902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.001902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.001902 (E_RNA) where: Base-Base interactions energy: -447.894 where: short stacking energy: -201.005 Base-Backbone interact. energy: -0.209 local terms energy: -267.899353 where: bonds (distance) C4'-P energy: -55.762 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -62.849 flat angles P-C4'-P energy: -43.735 tors. eta vs tors. theta energy: -46.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -722.854610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.854610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.854610 (E_RNA) where: Base-Base interactions energy: -458.928 where: short stacking energy: -223.525 Base-Backbone interact. energy: -0.476 local terms energy: -263.450653 where: bonds (distance) C4'-P energy: -55.019 bonds (distance) P-C4' energy: -45.877 flat angles C4'-P-C4' energy: -61.577 flat angles P-C4'-P energy: -45.389 tors. eta vs tors. theta energy: -55.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -486.469255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.469255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.469255 (E_RNA) where: Base-Base interactions energy: -282.480 where: short stacking energy: -136.043 Base-Backbone interact. energy: -0.100 local terms energy: -203.889849 where: bonds (distance) C4'-P energy: -65.090 bonds (distance) P-C4' energy: -51.859 flat angles C4'-P-C4' energy: -50.390 flat angles P-C4'-P energy: -28.825 tors. eta vs tors. theta energy: -7.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -299.365790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.365790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.365790 (E_RNA) where: Base-Base interactions energy: -124.285 where: short stacking energy: -95.658 Base-Backbone interact. energy: 0.604 local terms energy: -175.684666 where: bonds (distance) C4'-P energy: -51.543 bonds (distance) P-C4' energy: -58.148 flat angles C4'-P-C4' energy: -41.499 flat angles P-C4'-P energy: -29.022 tors. eta vs tors. theta energy: 4.527 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: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -259.704701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.704701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.704701 (E_RNA) where: Base-Base interactions energy: -109.279 where: short stacking energy: -68.427 Base-Backbone interact. energy: 1.417 local terms energy: -151.842360 where: bonds (distance) C4'-P energy: -44.083 bonds (distance) P-C4' energy: -41.941 flat angles C4'-P-C4' energy: -43.095 flat angles P-C4'-P energy: -36.943 tors. eta vs tors. theta energy: 14.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1070.466988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.466988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.466988 (E_RNA) where: Base-Base interactions energy: -727.504 where: short stacking energy: -324.397 Base-Backbone interact. energy: -0.106 local terms energy: -342.856889 where: bonds (distance) C4'-P energy: -62.145 bonds (distance) P-C4' energy: -69.658 flat angles C4'-P-C4' energy: -69.360 flat angles P-C4'-P energy: -56.660 tors. eta vs tors. theta energy: -85.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1010.076300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.076300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.076300 (E_RNA) where: Base-Base interactions energy: -681.525 where: short stacking energy: -299.284 Base-Backbone interact. energy: -1.555 local terms energy: -326.996358 where: bonds (distance) C4'-P energy: -59.518 bonds (distance) P-C4' energy: -61.144 flat angles C4'-P-C4' energy: -72.339 flat angles P-C4'-P energy: -53.979 tors. eta vs tors. theta energy: -80.017 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: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -951.249784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.249784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.249784 (E_RNA) where: Base-Base interactions energy: -652.961 where: short stacking energy: -274.322 Base-Backbone interact. energy: -0.831 local terms energy: -297.457253 where: bonds (distance) C4'-P energy: -53.014 bonds (distance) P-C4' energy: -62.462 flat angles C4'-P-C4' energy: -63.763 flat angles P-C4'-P energy: -37.039 tors. eta vs tors. theta energy: -81.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -925.215747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.215747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.215747 (E_RNA) where: Base-Base interactions energy: -587.349 where: short stacking energy: -298.963 Base-Backbone interact. energy: -0.254 local terms energy: -337.612366 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -74.019 flat angles C4'-P-C4' energy: -68.503 flat angles P-C4'-P energy: -37.904 tors. eta vs tors. theta energy: -93.980 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: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -817.887449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.887449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.887449 (E_RNA) where: Base-Base interactions energy: -547.440 where: short stacking energy: -251.518 Base-Backbone interact. energy: 0.115 local terms energy: -270.562091 where: bonds (distance) C4'-P energy: -52.244 bonds (distance) P-C4' energy: -53.773 flat angles C4'-P-C4' energy: -64.663 flat angles P-C4'-P energy: -39.782 tors. eta vs tors. theta energy: -60.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -701.292552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.292552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.292552 (E_RNA) where: Base-Base interactions energy: -458.734 where: short stacking energy: -205.546 Base-Backbone interact. energy: -0.328 local terms energy: -242.230445 where: bonds (distance) C4'-P energy: -41.952 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -58.778 flat angles P-C4'-P energy: -33.149 tors. eta vs tors. theta energy: -46.382 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: 272 Temperature: 1.200000 Total energy: -744.021589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.021589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.021589 (E_RNA) where: Base-Base interactions energy: -485.144 where: short stacking energy: -242.160 Base-Backbone interact. energy: -1.857 local terms energy: -257.020962 where: bonds (distance) C4'-P energy: -51.507 bonds (distance) P-C4' energy: -55.721 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -32.908 tors. eta vs tors. theta energy: -56.378 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: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -491.264015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.264015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.264015 (E_RNA) where: Base-Base interactions energy: -262.048 where: short stacking energy: -132.443 Base-Backbone interact. energy: -0.797 local terms energy: -228.418846 where: bonds (distance) C4'-P energy: -54.773 bonds (distance) P-C4' energy: -59.017 flat angles C4'-P-C4' energy: -50.977 flat angles P-C4'-P energy: -40.572 tors. eta vs tors. theta energy: -23.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -323.453682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.453682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.453682 (E_RNA) where: Base-Base interactions energy: -127.830 where: short stacking energy: -77.393 Base-Backbone interact. energy: -2.072 local terms energy: -193.552051 where: bonds (distance) C4'-P energy: -58.674 bonds (distance) P-C4' energy: -50.177 flat angles C4'-P-C4' energy: -58.852 flat angles P-C4'-P energy: -31.815 tors. eta vs tors. theta energy: 5.966 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: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -281.677864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.677864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.677864 (E_RNA) where: Base-Base interactions energy: -93.596 where: short stacking energy: -88.766 Base-Backbone interact. energy: 2.451 local terms energy: -190.533022 where: bonds (distance) C4'-P energy: -50.897 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -47.959 flat angles P-C4'-P energy: -26.356 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1063.244080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.244080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.244080 (E_RNA) where: Base-Base interactions energy: -732.898 where: short stacking energy: -314.285 Base-Backbone interact. energy: 1.464 local terms energy: -331.810143 where: bonds (distance) C4'-P energy: -65.433 bonds (distance) P-C4' energy: -53.200 flat angles C4'-P-C4' energy: -72.582 flat angles P-C4'-P energy: -52.322 tors. eta vs tors. theta energy: -88.274 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: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1000.803681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.803681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.803681 (E_RNA) where: Base-Base interactions energy: -672.355 where: short stacking energy: -293.452 Base-Backbone interact. energy: 3.283 local terms energy: -331.731989 where: bonds (distance) C4'-P energy: -63.717 bonds (distance) P-C4' energy: -69.563 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -82.125 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: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -978.991266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.991266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.991266 (E_RNA) where: Base-Base interactions energy: -656.989 where: short stacking energy: -281.297 Base-Backbone interact. energy: -0.129 local terms energy: -321.872836 where: bonds (distance) C4'-P energy: -55.174 bonds (distance) P-C4' energy: -66.511 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -50.555 tors. eta vs tors. theta energy: -78.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -938.286032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.286032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.286032 (E_RNA) where: Base-Base interactions energy: -610.749 where: short stacking energy: -284.795 Base-Backbone interact. energy: -0.532 local terms energy: -327.004914 where: bonds (distance) C4'-P energy: -60.206 bonds (distance) P-C4' energy: -60.384 flat angles C4'-P-C4' energy: -72.260 flat angles P-C4'-P energy: -49.636 tors. eta vs tors. theta energy: -84.520 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: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -804.143659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.143659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.143659 (E_RNA) where: Base-Base interactions energy: -522.835 where: short stacking energy: -244.277 Base-Backbone interact. energy: -0.527 local terms energy: -280.782029 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -62.853 flat angles C4'-P-C4' energy: -64.464 flat angles P-C4'-P energy: -35.931 tors. eta vs tors. theta energy: -67.190 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: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -716.635787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.635787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.635787 (E_RNA) where: Base-Base interactions energy: -460.154 where: short stacking energy: -204.427 Base-Backbone interact. energy: -1.064 local terms energy: -255.418073 where: bonds (distance) C4'-P energy: -47.152 bonds (distance) P-C4' energy: -59.306 flat angles C4'-P-C4' energy: -64.964 flat angles P-C4'-P energy: -37.471 tors. eta vs tors. theta energy: -46.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -761.985952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.985952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.985952 (E_RNA) where: Base-Base interactions energy: -488.248 where: short stacking energy: -225.808 Base-Backbone interact. energy: -1.982 local terms energy: -271.755581 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -57.853 flat angles C4'-P-C4' energy: -68.757 flat angles P-C4'-P energy: -34.626 tors. eta vs tors. theta energy: -54.725 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: 273 Temperature: 1.250000 Total energy: -449.404609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.404609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.404609 (E_RNA) where: Base-Base interactions energy: -238.822 where: short stacking energy: -127.047 Base-Backbone interact. energy: -0.066 local terms energy: -210.517333 where: bonds (distance) C4'-P energy: -60.403 bonds (distance) P-C4' energy: -62.424 flat angles C4'-P-C4' energy: -51.886 flat angles P-C4'-P energy: -31.620 tors. eta vs tors. theta energy: -4.186 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: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -290.502880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.502880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.502880 (E_RNA) where: Base-Base interactions energy: -103.552 where: short stacking energy: -89.725 Base-Backbone interact. energy: 1.338 local terms energy: -188.289461 where: bonds (distance) C4'-P energy: -51.954 bonds (distance) P-C4' energy: -59.295 flat angles C4'-P-C4' energy: -49.557 flat angles P-C4'-P energy: -33.958 tors. eta vs tors. theta energy: 6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -276.805469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.805469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.805469 (E_RNA) where: Base-Base interactions energy: -113.635 where: short stacking energy: -108.759 Base-Backbone interact. energy: -0.753 local terms energy: -162.417813 where: bonds (distance) C4'-P energy: -49.694 bonds (distance) P-C4' energy: -44.271 flat angles C4'-P-C4' energy: -41.143 flat angles P-C4'-P energy: -25.115 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1068.927602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.927602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.927602 (E_RNA) where: Base-Base interactions energy: -735.643 where: short stacking energy: -310.314 Base-Backbone interact. energy: 0.133 local terms energy: -333.418187 where: bonds (distance) C4'-P energy: -63.066 bonds (distance) P-C4' energy: -61.442 flat angles C4'-P-C4' energy: -76.852 flat angles P-C4'-P energy: -45.564 tors. eta vs tors. theta energy: -86.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -976.588350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.588350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.588350 (E_RNA) where: Base-Base interactions energy: -670.041 where: short stacking energy: -281.982 Base-Backbone interact. energy: 0.347 local terms energy: -306.894136 where: bonds (distance) C4'-P energy: -57.622 bonds (distance) P-C4' energy: -61.416 flat angles C4'-P-C4' energy: -65.326 flat angles P-C4'-P energy: -46.940 tors. eta vs tors. theta energy: -75.591 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: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -983.924317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.924317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.924317 (E_RNA) where: Base-Base interactions energy: -672.695 where: short stacking energy: -307.882 Base-Backbone interact. energy: -0.637 local terms energy: -310.592380 where: bonds (distance) C4'-P energy: -58.820 bonds (distance) P-C4' energy: -65.067 flat angles C4'-P-C4' energy: -68.070 flat angles P-C4'-P energy: -37.890 tors. eta vs tors. theta energy: -80.745 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: 4, replica: 7 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -913.358858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.358858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.358858 (E_RNA) where: Base-Base interactions energy: -603.417 where: short stacking energy: -277.067 Base-Backbone interact. energy: -0.249 local terms energy: -309.692723 where: bonds (distance) C4'-P energy: -62.865 bonds (distance) P-C4' energy: -54.607 flat angles C4'-P-C4' energy: -72.146 flat angles P-C4'-P energy: -38.592 tors. eta vs tors. theta energy: -81.483 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: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -806.291629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.291629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.291629 (E_RNA) where: Base-Base interactions energy: -531.451 where: short stacking energy: -253.532 Base-Backbone interact. energy: -1.440 local terms energy: -273.400639 where: bonds (distance) C4'-P energy: -45.440 bonds (distance) P-C4' energy: -62.923 flat angles C4'-P-C4' energy: -57.986 flat angles P-C4'-P energy: -39.475 tors. eta vs tors. theta energy: -67.577 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: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -706.114243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.114243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.114243 (E_RNA) where: Base-Base interactions energy: -442.913 where: short stacking energy: -212.725 Base-Backbone interact. energy: -0.144 local terms energy: -263.057025 where: bonds (distance) C4'-P energy: -50.448 bonds (distance) P-C4' energy: -59.123 flat angles C4'-P-C4' energy: -61.890 flat angles P-C4'-P energy: -36.991 tors. eta vs tors. theta energy: -54.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -762.059204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.059204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.059204 (E_RNA) where: Base-Base interactions energy: -485.607 where: short stacking energy: -234.287 Base-Backbone interact. energy: -1.850 local terms energy: -274.602033 where: bonds (distance) C4'-P energy: -62.430 bonds (distance) P-C4' energy: -51.558 flat angles C4'-P-C4' energy: -68.681 flat angles P-C4'-P energy: -28.472 tors. eta vs tors. theta energy: -63.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -501.526848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.526848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.526848 (E_RNA) where: Base-Base interactions energy: -292.236 where: short stacking energy: -150.604 Base-Backbone interact. energy: 0.444 local terms energy: -209.734186 where: bonds (distance) C4'-P energy: -57.871 bonds (distance) P-C4' energy: -43.988 flat angles C4'-P-C4' energy: -55.646 flat angles P-C4'-P energy: -27.377 tors. eta vs tors. theta energy: -24.852 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: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -269.872347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.872347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.872347 (E_RNA) where: Base-Base interactions energy: -78.398 where: short stacking energy: -63.969 Base-Backbone interact. energy: -2.688 local terms energy: -188.786669 where: bonds (distance) C4'-P energy: -49.686 bonds (distance) P-C4' energy: -54.745 flat angles C4'-P-C4' energy: -55.187 flat angles P-C4'-P energy: -32.183 tors. eta vs tors. theta energy: 3.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -252.796242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.796242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.796242 (E_RNA) where: Base-Base interactions energy: -90.281 where: short stacking energy: -65.289 Base-Backbone interact. energy: -2.156 local terms energy: -160.358989 where: bonds (distance) C4'-P energy: -58.893 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -34.698 flat angles P-C4'-P energy: -22.284 tors. eta vs tors. theta energy: 15.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1059.396792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.396792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.396792 (E_RNA) where: Base-Base interactions energy: -720.568 where: short stacking energy: -330.026 Base-Backbone interact. energy: 2.974 local terms energy: -341.801965 where: bonds (distance) C4'-P energy: -62.069 bonds (distance) P-C4' energy: -69.978 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -89.492 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: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1004.267357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.267357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.267357 (E_RNA) where: Base-Base interactions energy: -682.380 where: short stacking energy: -278.259 Base-Backbone interact. energy: -1.276 local terms energy: -320.611308 where: bonds (distance) C4'-P energy: -62.927 bonds (distance) P-C4' energy: -67.584 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -48.106 tors. eta vs tors. theta energy: -73.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -969.918955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.918955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.918955 (E_RNA) where: Base-Base interactions energy: -661.085 where: short stacking energy: -291.856 Base-Backbone interact. energy: -0.962 local terms energy: -307.871529 where: bonds (distance) C4'-P energy: -55.495 bonds (distance) P-C4' energy: -53.825 flat angles C4'-P-C4' energy: -73.311 flat angles P-C4'-P energy: -39.230 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: 4, replica: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -938.665184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.665184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.665184 (E_RNA) where: Base-Base interactions energy: -608.752 where: short stacking energy: -293.279 Base-Backbone interact. energy: -1.502 local terms energy: -328.411171 where: bonds (distance) C4'-P energy: -64.197 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -64.816 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -86.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -826.719934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.719934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.719934 (E_RNA) where: Base-Base interactions energy: -560.286 where: short stacking energy: -247.923 Base-Backbone interact. energy: -0.919 local terms energy: -265.514668 where: bonds (distance) C4'-P energy: -46.647 bonds (distance) P-C4' energy: -50.853 flat angles C4'-P-C4' energy: -56.227 flat angles P-C4'-P energy: -42.772 tors. eta vs tors. theta energy: -69.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -708.005854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.005854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.005854 (E_RNA) where: Base-Base interactions energy: -453.035 where: short stacking energy: -223.681 Base-Backbone interact. energy: -0.697 local terms energy: -254.273369 where: bonds (distance) C4'-P energy: -47.642 bonds (distance) P-C4' energy: -62.025 flat angles C4'-P-C4' energy: -59.027 flat angles P-C4'-P energy: -37.002 tors. eta vs tors. theta energy: -48.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -719.387091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.387091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.387091 (E_RNA) where: Base-Base interactions energy: -449.802 where: short stacking energy: -219.844 Base-Backbone interact. energy: -0.618 local terms energy: -268.966960 where: bonds (distance) C4'-P energy: -49.686 bonds (distance) P-C4' energy: -51.008 flat angles C4'-P-C4' energy: -63.361 flat angles P-C4'-P energy: -41.094 tors. eta vs tors. theta energy: -63.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -507.972600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.972600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.972600 (E_RNA) where: Base-Base interactions energy: -278.043 where: short stacking energy: -147.228 Base-Backbone interact. energy: -0.031 local terms energy: -229.898552 where: bonds (distance) C4'-P energy: -57.568 bonds (distance) P-C4' energy: -62.206 flat angles C4'-P-C4' energy: -56.723 flat angles P-C4'-P energy: -29.422 tors. eta vs tors. theta energy: -23.979 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: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -305.254132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.254132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.254132 (E_RNA) where: Base-Base interactions energy: -114.719 where: short stacking energy: -91.497 Base-Backbone interact. energy: 0.148 local terms energy: -190.683099 where: bonds (distance) C4'-P energy: -56.064 bonds (distance) P-C4' energy: -60.252 flat angles C4'-P-C4' energy: -50.513 flat angles P-C4'-P energy: -17.046 tors. eta vs tors. theta energy: -6.809 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: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -267.842421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.842421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.842421 (E_RNA) where: Base-Base interactions energy: -91.018 where: short stacking energy: -79.759 Base-Backbone interact. energy: 0.718 local terms energy: -177.542805 where: bonds (distance) C4'-P energy: -49.914 bonds (distance) P-C4' energy: -61.424 flat angles C4'-P-C4' energy: -38.388 flat angles P-C4'-P energy: -32.625 tors. eta vs tors. theta energy: 4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1049.566539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.566539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.566539 (E_RNA) where: Base-Base interactions energy: -726.222 where: short stacking energy: -322.493 Base-Backbone interact. energy: -0.771 local terms energy: -322.574280 where: bonds (distance) C4'-P energy: -58.995 bonds (distance) P-C4' energy: -57.528 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -89.059 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: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -981.057719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.057719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.057719 (E_RNA) where: Base-Base interactions energy: -660.420 where: short stacking energy: -278.550 Base-Backbone interact. energy: -2.534 local terms energy: -318.103353 where: bonds (distance) C4'-P energy: -70.986 bonds (distance) P-C4' energy: -61.795 flat angles C4'-P-C4' energy: -63.094 flat angles P-C4'-P energy: -39.137 tors. eta vs tors. theta energy: -83.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -956.039535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.039535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.039535 (E_RNA) where: Base-Base interactions energy: -626.240 where: short stacking energy: -293.694 Base-Backbone interact. energy: 0.358 local terms energy: -330.157947 where: bonds (distance) C4'-P energy: -67.465 bonds (distance) P-C4' energy: -58.362 flat angles C4'-P-C4' energy: -71.238 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -90.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -926.514357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.514357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.514357 (E_RNA) where: Base-Base interactions energy: -626.061 where: short stacking energy: -261.522 Base-Backbone interact. energy: -2.371 local terms energy: -298.083112 where: bonds (distance) C4'-P energy: -53.368 bonds (distance) P-C4' energy: -59.658 flat angles C4'-P-C4' energy: -65.464 flat angles P-C4'-P energy: -38.684 tors. eta vs tors. theta energy: -80.908 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: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -830.121023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.121023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.121023 (E_RNA) where: Base-Base interactions energy: -546.291 where: short stacking energy: -232.091 Base-Backbone interact. energy: -3.881 local terms energy: -279.949080 where: bonds (distance) C4'-P energy: -66.940 bonds (distance) P-C4' energy: -56.759 flat angles C4'-P-C4' energy: -60.883 flat angles P-C4'-P energy: -35.281 tors. eta vs tors. theta energy: -60.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -702.160314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.160314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.160314 (E_RNA) where: Base-Base interactions energy: -441.351 where: short stacking energy: -216.534 Base-Backbone interact. energy: 0.413 local terms energy: -261.222420 where: bonds (distance) C4'-P energy: -54.398 bonds (distance) P-C4' energy: -60.232 flat angles C4'-P-C4' energy: -57.037 flat angles P-C4'-P energy: -41.976 tors. eta vs tors. theta energy: -47.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -662.283074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.283074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.283074 (E_RNA) where: Base-Base interactions energy: -437.183 where: short stacking energy: -201.969 Base-Backbone interact. energy: 5.229 local terms energy: -230.328863 where: bonds (distance) C4'-P energy: -52.524 bonds (distance) P-C4' energy: -44.729 flat angles C4'-P-C4' energy: -54.758 flat angles P-C4'-P energy: -35.815 tors. eta vs tors. theta energy: -42.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -498.934512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.934512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.934512 (E_RNA) where: Base-Base interactions energy: -287.812 where: short stacking energy: -148.191 Base-Backbone interact. energy: -0.779 local terms energy: -210.344079 where: bonds (distance) C4'-P energy: -52.430 bonds (distance) P-C4' energy: -47.140 flat angles C4'-P-C4' energy: -50.675 flat angles P-C4'-P energy: -29.971 tors. eta vs tors. theta energy: -30.128 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: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -270.267542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.267542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.267542 (E_RNA) where: Base-Base interactions energy: -104.342 where: short stacking energy: -67.680 Base-Backbone interact. energy: -0.561 local terms energy: -165.364991 where: bonds (distance) C4'-P energy: -56.795 bonds (distance) P-C4' energy: -55.152 flat angles C4'-P-C4' energy: -37.183 flat angles P-C4'-P energy: -28.725 tors. eta vs tors. theta energy: 12.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -273.279415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.279415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.279415 (E_RNA) where: Base-Base interactions energy: -95.231 where: short stacking energy: -71.108 Base-Backbone interact. energy: -1.312 local terms energy: -176.736102 where: bonds (distance) C4'-P energy: -54.558 bonds (distance) P-C4' energy: -66.520 flat angles C4'-P-C4' energy: -35.095 flat angles P-C4'-P energy: -25.576 tors. eta vs tors. theta energy: 5.013 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: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1044.574900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.574900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.574900 (E_RNA) where: Base-Base interactions energy: -712.701 where: short stacking energy: -313.308 Base-Backbone interact. energy: -1.356 local terms energy: -330.517967 where: bonds (distance) C4'-P energy: -56.612 bonds (distance) P-C4' energy: -66.745 flat angles C4'-P-C4' energy: -70.344 flat angles P-C4'-P energy: -53.051 tors. eta vs tors. theta energy: -83.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -989.355007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.355007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.355007 (E_RNA) where: Base-Base interactions energy: -661.842 where: short stacking energy: -305.171 Base-Backbone interact. energy: 1.017 local terms energy: -328.530985 where: bonds (distance) C4'-P energy: -57.796 bonds (distance) P-C4' energy: -66.766 flat angles C4'-P-C4' energy: -66.989 flat angles P-C4'-P energy: -50.228 tors. eta vs tors. theta energy: -86.752 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: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -948.562786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.562786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.562786 (E_RNA) where: Base-Base interactions energy: -631.262 where: short stacking energy: -298.885 Base-Backbone interact. energy: -0.540 local terms energy: -316.760541 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -72.343 flat angles C4'-P-C4' energy: -59.629 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -85.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -886.121634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.121634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.121634 (E_RNA) where: Base-Base interactions energy: -588.048 where: short stacking energy: -251.300 Base-Backbone interact. energy: -1.179 local terms energy: -296.894718 where: bonds (distance) C4'-P energy: -65.395 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -65.190 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: -61.699 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: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -905.898352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.898352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.898352 (E_RNA) where: Base-Base interactions energy: -603.521 where: short stacking energy: -272.881 Base-Backbone interact. energy: -1.915 local terms energy: -300.462301 where: bonds (distance) C4'-P energy: -63.064 bonds (distance) P-C4' energy: -55.045 flat angles C4'-P-C4' energy: -60.808 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: -66.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -725.033473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.033473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.033473 (E_RNA) where: Base-Base interactions energy: -467.921 where: short stacking energy: -200.838 Base-Backbone interact. energy: -0.339 local terms energy: -256.773445 where: bonds (distance) C4'-P energy: -56.272 bonds (distance) P-C4' energy: -63.281 flat angles C4'-P-C4' energy: -59.576 flat angles P-C4'-P energy: -34.639 tors. eta vs tors. theta energy: -43.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -690.283348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.283348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.283348 (E_RNA) where: Base-Base interactions energy: -424.930 where: short stacking energy: -196.919 Base-Backbone interact. energy: 2.423 local terms energy: -267.776784 where: bonds (distance) C4'-P energy: -59.938 bonds (distance) P-C4' energy: -69.949 flat angles C4'-P-C4' energy: -50.356 flat angles P-C4'-P energy: -38.186 tors. eta vs tors. theta energy: -49.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -500.872186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.872186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.872186 (E_RNA) where: Base-Base interactions energy: -287.008 where: short stacking energy: -150.381 Base-Backbone interact. energy: -1.359 local terms energy: -212.505605 where: bonds (distance) C4'-P energy: -56.208 bonds (distance) P-C4' energy: -49.929 flat angles C4'-P-C4' energy: -58.862 flat angles P-C4'-P energy: -26.159 tors. eta vs tors. theta energy: -21.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -357.059183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.059183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.059183 (E_RNA) where: Base-Base interactions energy: -165.409 where: short stacking energy: -103.595 Base-Backbone interact. energy: 2.974 local terms energy: -194.623486 where: bonds (distance) C4'-P energy: -62.307 bonds (distance) P-C4' energy: -65.114 flat angles C4'-P-C4' energy: -41.285 flat angles P-C4'-P energy: -19.503 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -263.293373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.293373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.293373 (E_RNA) where: Base-Base interactions energy: -84.435 where: short stacking energy: -80.218 Base-Backbone interact. energy: -1.705 local terms energy: -177.153107 where: bonds (distance) C4'-P energy: -57.138 bonds (distance) P-C4' energy: -55.379 flat angles C4'-P-C4' energy: -44.160 flat angles P-C4'-P energy: -14.909 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1018.489012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.489012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.489012 (E_RNA) where: Base-Base interactions energy: -695.605 where: short stacking energy: -305.979 Base-Backbone interact. energy: 0.016 local terms energy: -322.900136 where: bonds (distance) C4'-P energy: -61.630 bonds (distance) P-C4' energy: -69.216 flat angles C4'-P-C4' energy: -61.868 flat angles P-C4'-P energy: -55.562 tors. eta vs tors. theta energy: -74.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -995.124785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.124785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.124785 (E_RNA) where: Base-Base interactions energy: -664.796 where: short stacking energy: -295.598 Base-Backbone interact. energy: -0.742 local terms energy: -329.587451 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -69.072 flat angles C4'-P-C4' energy: -74.655 flat angles P-C4'-P energy: -46.519 tors. eta vs tors. theta energy: -78.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -944.186522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.186522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.186522 (E_RNA) where: Base-Base interactions energy: -625.006 where: short stacking energy: -309.884 Base-Backbone interact. energy: 1.323 local terms energy: -320.503508 where: bonds (distance) C4'-P energy: -54.067 bonds (distance) P-C4' energy: -67.581 flat angles C4'-P-C4' energy: -73.755 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: -84.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -900.378761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.378761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.378761 (E_RNA) where: Base-Base interactions energy: -605.602 where: short stacking energy: -276.714 Base-Backbone interact. energy: -0.030 local terms energy: -294.746416 where: bonds (distance) C4'-P energy: -56.997 bonds (distance) P-C4' energy: -68.324 flat angles C4'-P-C4' energy: -58.000 flat angles P-C4'-P energy: -35.025 tors. eta vs tors. theta energy: -76.400 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: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -880.788413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.788413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.788413 (E_RNA) where: Base-Base interactions energy: -606.622 where: short stacking energy: -268.006 Base-Backbone interact. energy: 2.433 local terms energy: -276.599991 where: bonds (distance) C4'-P energy: -45.522 bonds (distance) P-C4' energy: -55.862 flat angles C4'-P-C4' energy: -61.501 flat angles P-C4'-P energy: -45.003 tors. eta vs tors. theta energy: -68.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -706.047542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.047542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.047542 (E_RNA) where: Base-Base interactions energy: -443.319 where: short stacking energy: -209.103 Base-Backbone interact. energy: 0.091 local terms energy: -262.819481 where: bonds (distance) C4'-P energy: -69.135 bonds (distance) P-C4' energy: -61.059 flat angles C4'-P-C4' energy: -58.631 flat angles P-C4'-P energy: -31.638 tors. eta vs tors. theta energy: -42.357 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: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -681.074253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.074253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.074253 (E_RNA) where: Base-Base interactions energy: -412.285 where: short stacking energy: -185.144 Base-Backbone interact. energy: 1.942 local terms energy: -270.730778 where: bonds (distance) C4'-P energy: -60.096 bonds (distance) P-C4' energy: -65.813 flat angles C4'-P-C4' energy: -48.523 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: -50.674 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: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -502.556043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.556043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.556043 (E_RNA) where: Base-Base interactions energy: -297.226 where: short stacking energy: -170.159 Base-Backbone interact. energy: 0.463 local terms energy: -205.792838 where: bonds (distance) C4'-P energy: -60.781 bonds (distance) P-C4' energy: -54.676 flat angles C4'-P-C4' energy: -40.366 flat angles P-C4'-P energy: -23.263 tors. eta vs tors. theta energy: -26.707 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: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -338.530273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.530273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.530273 (E_RNA) where: Base-Base interactions energy: -141.469 where: short stacking energy: -93.461 Base-Backbone interact. energy: -0.090 local terms energy: -196.970501 where: bonds (distance) C4'-P energy: -52.865 bonds (distance) P-C4' energy: -50.060 flat angles C4'-P-C4' energy: -51.691 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -244.253201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.253201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.253201 (E_RNA) where: Base-Base interactions energy: -87.502 where: short stacking energy: -82.990 Base-Backbone interact. energy: -0.281 local terms energy: -156.469589 where: bonds (distance) C4'-P energy: -64.838 bonds (distance) P-C4' energy: -45.814 flat angles C4'-P-C4' energy: -33.175 flat angles P-C4'-P energy: -23.276 tors. eta vs tors. theta energy: 10.634 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: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1046.248427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.248427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.248427 (E_RNA) where: Base-Base interactions energy: -730.215 where: short stacking energy: -308.194 Base-Backbone interact. energy: -1.719 local terms energy: -314.314413 where: bonds (distance) C4'-P energy: -59.243 bonds (distance) P-C4' energy: -62.500 flat angles C4'-P-C4' energy: -67.084 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -81.223 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: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1009.128568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.128568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.128568 (E_RNA) where: Base-Base interactions energy: -685.460 where: short stacking energy: -313.866 Base-Backbone interact. energy: -1.182 local terms energy: -322.486858 where: bonds (distance) C4'-P energy: -63.756 bonds (distance) P-C4' energy: -62.451 flat angles C4'-P-C4' energy: -67.890 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -85.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -942.147631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.147631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.147631 (E_RNA) where: Base-Base interactions energy: -624.010 where: short stacking energy: -292.006 Base-Backbone interact. energy: -0.635 local terms energy: -317.503152 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -57.755 flat angles C4'-P-C4' energy: -70.109 flat angles P-C4'-P energy: -44.337 tors. eta vs tors. theta energy: -79.217 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: 279 Temperature: 1.050000 Total energy: -874.742009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.742009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.742009 (E_RNA) where: Base-Base interactions energy: -573.711 where: short stacking energy: -271.946 Base-Backbone interact. energy: -0.848 local terms energy: -300.183192 where: bonds (distance) C4'-P energy: -62.799 bonds (distance) P-C4' energy: -52.090 flat angles C4'-P-C4' energy: -62.831 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: -81.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -883.449996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.449996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.449996 (E_RNA) where: Base-Base interactions energy: -581.474 where: short stacking energy: -260.099 Base-Backbone interact. energy: 0.930 local terms energy: -302.906379 where: bonds (distance) C4'-P energy: -44.233 bonds (distance) P-C4' energy: -66.943 flat angles C4'-P-C4' energy: -69.294 flat angles P-C4'-P energy: -44.359 tors. eta vs tors. theta energy: -78.078 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: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -707.692537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.692537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.692537 (E_RNA) where: Base-Base interactions energy: -443.466 where: short stacking energy: -208.204 Base-Backbone interact. energy: -0.801 local terms energy: -263.424766 where: bonds (distance) C4'-P energy: -65.743 bonds (distance) P-C4' energy: -59.140 flat angles C4'-P-C4' energy: -60.148 flat angles P-C4'-P energy: -25.034 tors. eta vs tors. theta energy: -53.359 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: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -735.093645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.093645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.093645 (E_RNA) where: Base-Base interactions energy: -477.884 where: short stacking energy: -212.273 Base-Backbone interact. energy: -0.116 local terms energy: -257.092794 where: bonds (distance) C4'-P energy: -56.369 bonds (distance) P-C4' energy: -50.087 flat angles C4'-P-C4' energy: -63.513 flat angles P-C4'-P energy: -39.203 tors. eta vs tors. theta energy: -47.921 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: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -482.578228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.578228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.578228 (E_RNA) where: Base-Base interactions energy: -255.489 where: short stacking energy: -111.620 Base-Backbone interact. energy: -0.565 local terms energy: -226.524849 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -52.854 flat angles C4'-P-C4' energy: -55.984 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -14.721 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: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -328.494852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.494852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.494852 (E_RNA) where: Base-Base interactions energy: -166.143 where: short stacking energy: -110.284 Base-Backbone interact. energy: 6.419 local terms energy: -168.771524 where: bonds (distance) C4'-P energy: -44.984 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -40.591 flat angles P-C4'-P energy: -24.850 tors. eta vs tors. theta energy: 3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -278.402036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.402036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.402036 (E_RNA) where: Base-Base interactions energy: -107.206 where: short stacking energy: -101.215 Base-Backbone interact. energy: -0.490 local terms energy: -170.706352 where: bonds (distance) C4'-P energy: -41.413 bonds (distance) P-C4' energy: -43.567 flat angles C4'-P-C4' energy: -61.323 flat angles P-C4'-P energy: -24.747 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: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1055.280132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.280132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.280132 (E_RNA) where: Base-Base interactions energy: -731.404 where: short stacking energy: -312.629 Base-Backbone interact. energy: -0.537 local terms energy: -323.338821 where: bonds (distance) C4'-P energy: -64.740 bonds (distance) P-C4' energy: -63.485 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -42.176 tors. eta vs tors. theta energy: -83.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -982.459188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.459188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.459188 (E_RNA) where: Base-Base interactions energy: -670.969 where: short stacking energy: -279.498 Base-Backbone interact. energy: -1.514 local terms energy: -309.975938 where: bonds (distance) C4'-P energy: -61.109 bonds (distance) P-C4' energy: -63.264 flat angles C4'-P-C4' energy: -60.871 flat angles P-C4'-P energy: -50.194 tors. eta vs tors. theta energy: -74.538 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: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -915.276406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.276406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.276406 (E_RNA) where: Base-Base interactions energy: -616.535 where: short stacking energy: -291.339 Base-Backbone interact. energy: -1.619 local terms energy: -297.121866 where: bonds (distance) C4'-P energy: -44.999 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -69.232 flat angles P-C4'-P energy: -48.502 tors. eta vs tors. theta energy: -69.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -869.350926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.350926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.350926 (E_RNA) where: Base-Base interactions energy: -564.260 where: short stacking energy: -288.624 Base-Backbone interact. energy: -0.266 local terms energy: -304.824997 where: bonds (distance) C4'-P energy: -46.539 bonds (distance) P-C4' energy: -52.670 flat angles C4'-P-C4' energy: -75.831 flat angles P-C4'-P energy: -47.103 tors. eta vs tors. theta energy: -82.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -878.979042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.979042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.979042 (E_RNA) where: Base-Base interactions energy: -591.712 where: short stacking energy: -251.769 Base-Backbone interact. energy: 0.539 local terms energy: -287.805737 where: bonds (distance) C4'-P energy: -57.107 bonds (distance) P-C4' energy: -54.584 flat angles C4'-P-C4' energy: -56.499 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -67.353 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: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -707.255219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.255219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.255219 (E_RNA) where: Base-Base interactions energy: -443.810 where: short stacking energy: -231.804 Base-Backbone interact. energy: -0.688 local terms energy: -262.756722 where: bonds (distance) C4'-P energy: -47.164 bonds (distance) P-C4' energy: -63.293 flat angles C4'-P-C4' energy: -55.744 flat angles P-C4'-P energy: -39.786 tors. eta vs tors. theta energy: -56.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -719.243008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.243008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.243008 (E_RNA) where: Base-Base interactions energy: -471.391 where: short stacking energy: -218.244 Base-Backbone interact. energy: 1.509 local terms energy: -249.360764 where: bonds (distance) C4'-P energy: -47.905 bonds (distance) P-C4' energy: -53.083 flat angles C4'-P-C4' energy: -59.811 flat angles P-C4'-P energy: -40.808 tors. eta vs tors. theta energy: -47.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -498.806286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.806286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.806286 (E_RNA) where: Base-Base interactions energy: -291.475 where: short stacking energy: -138.979 Base-Backbone interact. energy: -1.483 local terms energy: -205.848414 where: bonds (distance) C4'-P energy: -43.097 bonds (distance) P-C4' energy: -62.040 flat angles C4'-P-C4' energy: -54.413 flat angles P-C4'-P energy: -30.643 tors. eta vs tors. theta energy: -15.656 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: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -308.106119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.106119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.106119 (E_RNA) where: Base-Base interactions energy: -130.660 where: short stacking energy: -101.960 Base-Backbone interact. energy: -0.668 local terms energy: -176.778116 where: bonds (distance) C4'-P energy: -47.554 bonds (distance) P-C4' energy: -55.971 flat angles C4'-P-C4' energy: -34.506 flat angles P-C4'-P energy: -21.900 tors. eta vs tors. theta energy: -16.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -270.142527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.142527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.142527 (E_RNA) where: Base-Base interactions energy: -103.216 where: short stacking energy: -67.291 Base-Backbone interact. energy: 2.080 local terms energy: -169.006409 where: bonds (distance) C4'-P energy: -52.507 bonds (distance) P-C4' energy: -44.245 flat angles C4'-P-C4' energy: -48.347 flat angles P-C4'-P energy: -35.584 tors. eta vs tors. theta energy: 11.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1049.058146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.058146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.058146 (E_RNA) where: Base-Base interactions energy: -714.035 where: short stacking energy: -320.423 Base-Backbone interact. energy: 0.813 local terms energy: -335.836281 where: bonds (distance) C4'-P energy: -68.569 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -69.649 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -91.549 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: 2 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -996.195592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.195592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.195592 (E_RNA) where: Base-Base interactions energy: -677.170 where: short stacking energy: -308.172 Base-Backbone interact. energy: -1.189 local terms energy: -317.837133 where: bonds (distance) C4'-P energy: -63.422 bonds (distance) P-C4' energy: -68.387 flat angles C4'-P-C4' energy: -65.905 flat angles P-C4'-P energy: -34.827 tors. eta vs tors. theta energy: -85.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -908.954886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.954886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.954886 (E_RNA) where: Base-Base interactions energy: -622.701 where: short stacking energy: -274.214 Base-Backbone interact. energy: -0.108 local terms energy: -286.146250 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -59.991 flat angles C4'-P-C4' energy: -72.119 flat angles P-C4'-P energy: -43.521 tors. eta vs tors. theta energy: -60.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -883.936170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.936170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.936170 (E_RNA) where: Base-Base interactions energy: -571.236 where: short stacking energy: -283.699 Base-Backbone interact. energy: 3.192 local terms energy: -315.891467 where: bonds (distance) C4'-P energy: -64.030 bonds (distance) P-C4' energy: -67.864 flat angles C4'-P-C4' energy: -68.260 flat angles P-C4'-P energy: -36.390 tors. eta vs tors. theta energy: -79.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -891.061569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.061569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.061569 (E_RNA) where: Base-Base interactions energy: -602.611 where: short stacking energy: -282.900 Base-Backbone interact. energy: -1.724 local terms energy: -286.726861 where: bonds (distance) C4'-P energy: -49.446 bonds (distance) P-C4' energy: -60.709 flat angles C4'-P-C4' energy: -62.981 flat angles P-C4'-P energy: -38.809 tors. eta vs tors. theta energy: -74.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -765.264033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.264033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.264033 (E_RNA) where: Base-Base interactions energy: -487.666 where: short stacking energy: -230.313 Base-Backbone interact. energy: -0.283 local terms energy: -277.314971 where: bonds (distance) C4'-P energy: -57.399 bonds (distance) P-C4' energy: -60.326 flat angles C4'-P-C4' energy: -65.492 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -55.892 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: 7, replica: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -756.782530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.782530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.782530 (E_RNA) where: Base-Base interactions energy: -485.334 where: short stacking energy: -234.652 Base-Backbone interact. energy: -2.021 local terms energy: -269.427577 where: bonds (distance) C4'-P energy: -41.022 bonds (distance) P-C4' energy: -50.799 flat angles C4'-P-C4' energy: -64.233 flat angles P-C4'-P energy: -40.521 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: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -533.533708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.533708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.533708 (E_RNA) where: Base-Base interactions energy: -327.992 where: short stacking energy: -162.481 Base-Backbone interact. energy: 4.074 local terms energy: -209.614900 where: bonds (distance) C4'-P energy: -48.006 bonds (distance) P-C4' energy: -49.680 flat angles C4'-P-C4' energy: -61.010 flat angles P-C4'-P energy: -30.218 tors. eta vs tors. theta energy: -20.701 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: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -323.011950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.011950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.011950 (E_RNA) where: Base-Base interactions energy: -149.446 where: short stacking energy: -100.872 Base-Backbone interact. energy: -1.007 local terms energy: -172.558369 where: bonds (distance) C4'-P energy: -49.876 bonds (distance) P-C4' energy: -50.082 flat angles C4'-P-C4' energy: -38.696 flat angles P-C4'-P energy: -33.958 tors. eta vs tors. theta energy: 0.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -269.885647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.885647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.885647 (E_RNA) where: Base-Base interactions energy: -112.006 where: short stacking energy: -94.163 Base-Backbone interact. energy: -2.089 local terms energy: -155.789935 where: bonds (distance) C4'-P energy: -50.678 bonds (distance) P-C4' energy: -40.471 flat angles C4'-P-C4' energy: -32.659 flat angles P-C4'-P energy: -20.296 tors. eta vs tors. theta energy: -11.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1023.625603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.625603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.625603 (E_RNA) where: Base-Base interactions energy: -688.337 where: short stacking energy: -307.509 Base-Backbone interact. energy: -0.853 local terms energy: -334.435328 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -69.267 flat angles C4'-P-C4' energy: -71.689 flat angles P-C4'-P energy: -43.679 tors. eta vs tors. theta energy: -82.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1030.612631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.612631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.612631 (E_RNA) where: Base-Base interactions energy: -709.268 where: short stacking energy: -296.810 Base-Backbone interact. energy: -1.724 local terms energy: -319.620893 where: bonds (distance) C4'-P energy: -52.922 bonds (distance) P-C4' energy: -55.959 flat angles C4'-P-C4' energy: -75.527 flat angles P-C4'-P energy: -53.610 tors. eta vs tors. theta energy: -81.603 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: 3, replica: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -899.779397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.779397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.779397 (E_RNA) where: Base-Base interactions energy: -579.656 where: short stacking energy: -274.287 Base-Backbone interact. energy: -1.632 local terms energy: -318.491659 where: bonds (distance) C4'-P energy: -60.542 bonds (distance) P-C4' energy: -67.793 flat angles C4'-P-C4' energy: -73.857 flat angles P-C4'-P energy: -40.255 tors. eta vs tors. theta energy: -76.045 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: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -882.085642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.085642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.085642 (E_RNA) where: Base-Base interactions energy: -585.691 where: short stacking energy: -266.281 Base-Backbone interact. energy: -2.349 local terms energy: -294.046127 where: bonds (distance) C4'-P energy: -57.855 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -61.320 flat angles P-C4'-P energy: -37.153 tors. eta vs tors. theta energy: -75.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -853.966163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.966163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.966163 (E_RNA) where: Base-Base interactions energy: -549.692 where: short stacking energy: -258.935 Base-Backbone interact. energy: -1.541 local terms energy: -302.732248 where: bonds (distance) C4'-P energy: -53.768 bonds (distance) P-C4' energy: -68.670 flat angles C4'-P-C4' energy: -61.879 flat angles P-C4'-P energy: -44.120 tors. eta vs tors. theta energy: -74.295 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: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -735.934454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.934454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.934454 (E_RNA) where: Base-Base interactions energy: -441.915 where: short stacking energy: -243.614 Base-Backbone interact. energy: -0.159 local terms energy: -293.860207 where: bonds (distance) C4'-P energy: -62.524 bonds (distance) P-C4' energy: -69.967 flat angles C4'-P-C4' energy: -59.269 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -60.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -744.778273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.778273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.778273 (E_RNA) where: Base-Base interactions energy: -478.666 where: short stacking energy: -221.376 Base-Backbone interact. energy: -0.838 local terms energy: -265.273937 where: bonds (distance) C4'-P energy: -54.683 bonds (distance) P-C4' energy: -50.892 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -56.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -530.767293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.767293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.767293 (E_RNA) where: Base-Base interactions energy: -325.531 where: short stacking energy: -152.596 Base-Backbone interact. energy: -0.980 local terms energy: -204.256370 where: bonds (distance) C4'-P energy: -48.768 bonds (distance) P-C4' energy: -57.449 flat angles C4'-P-C4' energy: -50.868 flat angles P-C4'-P energy: -30.636 tors. eta vs tors. theta energy: -16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -326.447947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.447947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.447947 (E_RNA) where: Base-Base interactions energy: -141.409 where: short stacking energy: -95.792 Base-Backbone interact. energy: -0.042 local terms energy: -184.996658 where: bonds (distance) C4'-P energy: -45.559 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -51.771 flat angles P-C4'-P energy: -24.037 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -253.499466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.499466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.499466 (E_RNA) where: Base-Base interactions energy: -95.133 where: short stacking energy: -66.256 Base-Backbone interact. energy: 1.084 local terms energy: -159.450216 where: bonds (distance) C4'-P energy: -54.374 bonds (distance) P-C4' energy: -49.082 flat angles C4'-P-C4' energy: -37.574 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: 21.415 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: 283 Temperature: 0.900000 Total energy: -1046.175269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.175269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.175269 (E_RNA) where: Base-Base interactions energy: -696.221 where: short stacking energy: -311.481 Base-Backbone interact. energy: -1.544 local terms energy: -348.410116 where: bonds (distance) C4'-P energy: -66.232 bonds (distance) P-C4' energy: -69.504 flat angles C4'-P-C4' energy: -76.113 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -87.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1038.528056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.528056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.528056 (E_RNA) where: Base-Base interactions energy: -700.700 where: short stacking energy: -316.283 Base-Backbone interact. energy: -3.523 local terms energy: -334.305722 where: bonds (distance) C4'-P energy: -67.362 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -66.882 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -86.702 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: 4 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -909.614439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.614439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.614439 (E_RNA) where: Base-Base interactions energy: -600.708 where: short stacking energy: -265.692 Base-Backbone interact. energy: -2.007 local terms energy: -306.898683 where: bonds (distance) C4'-P energy: -48.752 bonds (distance) P-C4' energy: -61.280 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -50.100 tors. eta vs tors. theta energy: -78.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -901.108737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.108737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.108737 (E_RNA) where: Base-Base interactions energy: -595.842 where: short stacking energy: -272.803 Base-Backbone interact. energy: -0.700 local terms energy: -304.566858 where: bonds (distance) C4'-P energy: -59.138 bonds (distance) P-C4' energy: -58.335 flat angles C4'-P-C4' energy: -64.894 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -83.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -854.682492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.682492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.682492 (E_RNA) where: Base-Base interactions energy: -551.007 where: short stacking energy: -263.013 Base-Backbone interact. energy: -0.040 local terms energy: -303.634890 where: bonds (distance) C4'-P energy: -56.320 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -69.012 flat angles P-C4'-P energy: -39.910 tors. eta vs tors. theta energy: -72.543 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: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -733.200207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.200207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.200207 (E_RNA) where: Base-Base interactions energy: -464.793 where: short stacking energy: -222.838 Base-Backbone interact. energy: -0.779 local terms energy: -267.627554 where: bonds (distance) C4'-P energy: -55.385 bonds (distance) P-C4' energy: -56.225 flat angles C4'-P-C4' energy: -62.171 flat angles P-C4'-P energy: -29.032 tors. eta vs tors. theta energy: -64.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -743.425542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.425542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.425542 (E_RNA) where: Base-Base interactions energy: -488.489 where: short stacking energy: -222.463 Base-Backbone interact. energy: 0.455 local terms energy: -255.391868 where: bonds (distance) C4'-P energy: -58.462 bonds (distance) P-C4' energy: -58.203 flat angles C4'-P-C4' energy: -68.190 flat angles P-C4'-P energy: -25.302 tors. eta vs tors. theta energy: -45.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -553.517124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.517124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.517124 (E_RNA) where: Base-Base interactions energy: -343.862 where: short stacking energy: -150.175 Base-Backbone interact. energy: 3.048 local terms energy: -212.702779 where: bonds (distance) C4'-P energy: -48.299 bonds (distance) P-C4' energy: -52.014 flat angles C4'-P-C4' energy: -44.153 flat angles P-C4'-P energy: -38.772 tors. eta vs tors. theta energy: -29.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -324.006075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.006075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.006075 (E_RNA) where: Base-Base interactions energy: -129.215 where: short stacking energy: -90.764 Base-Backbone interact. energy: 2.413 local terms energy: -197.203770 where: bonds (distance) C4'-P energy: -63.705 bonds (distance) P-C4' energy: -54.958 flat angles C4'-P-C4' energy: -44.457 flat angles P-C4'-P energy: -29.247 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -277.701303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.701303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.701303 (E_RNA) where: Base-Base interactions energy: -107.403 where: short stacking energy: -90.277 Base-Backbone interact. energy: -0.465 local terms energy: -169.834137 where: bonds (distance) C4'-P energy: -46.813 bonds (distance) P-C4' energy: -53.134 flat angles C4'-P-C4' energy: -43.842 flat angles P-C4'-P energy: -24.041 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1081.110246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.110246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.110246 (E_RNA) where: Base-Base interactions energy: -733.826 where: short stacking energy: -319.971 Base-Backbone interact. energy: -2.612 local terms energy: -344.672021 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -63.171 flat angles C4'-P-C4' energy: -69.302 flat angles P-C4'-P energy: -54.225 tors. eta vs tors. theta energy: -94.326 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: 284 Temperature: 0.950000 Total energy: -1004.986127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.986127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.986127 (E_RNA) where: Base-Base interactions energy: -687.179 where: short stacking energy: -315.936 Base-Backbone interact. energy: -2.592 local terms energy: -315.215068 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -66.605 flat angles P-C4'-P energy: -45.991 tors. eta vs tors. theta energy: -86.364 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: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -927.669304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.669304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.669304 (E_RNA) where: Base-Base interactions energy: -613.831 where: short stacking energy: -274.188 Base-Backbone interact. energy: -2.405 local terms energy: -311.433286 where: bonds (distance) C4'-P energy: -58.649 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -63.950 flat angles P-C4'-P energy: -52.146 tors. eta vs tors. theta energy: -75.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -889.971077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.971077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.971077 (E_RNA) where: Base-Base interactions energy: -589.043 where: short stacking energy: -267.687 Base-Backbone interact. energy: -1.706 local terms energy: -299.222199 where: bonds (distance) C4'-P energy: -59.141 bonds (distance) P-C4' energy: -59.237 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -30.952 tors. eta vs tors. theta energy: -80.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -897.846284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.846284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.846284 (E_RNA) where: Base-Base interactions energy: -604.414 where: short stacking energy: -278.713 Base-Backbone interact. energy: 1.538 local terms energy: -294.970444 where: bonds (distance) C4'-P energy: -48.190 bonds (distance) P-C4' energy: -56.395 flat angles C4'-P-C4' energy: -65.239 flat angles P-C4'-P energy: -45.483 tors. eta vs tors. theta energy: -79.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -744.569308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.569308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.569308 (E_RNA) where: Base-Base interactions energy: -459.541 where: short stacking energy: -213.875 Base-Backbone interact. energy: -2.602 local terms energy: -282.426720 where: bonds (distance) C4'-P energy: -65.408 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -62.570 flat angles P-C4'-P energy: -37.436 tors. eta vs tors. theta energy: -59.060 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: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -755.527798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.527798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.527798 (E_RNA) where: Base-Base interactions energy: -504.010 where: short stacking energy: -203.445 Base-Backbone interact. energy: -1.539 local terms energy: -249.978357 where: bonds (distance) C4'-P energy: -55.028 bonds (distance) P-C4' energy: -40.462 flat angles C4'-P-C4' energy: -67.777 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: -48.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -544.281680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.281680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.281680 (E_RNA) where: Base-Base interactions energy: -313.830 where: short stacking energy: -146.259 Base-Backbone interact. energy: -0.655 local terms energy: -229.796600 where: bonds (distance) C4'-P energy: -55.250 bonds (distance) P-C4' energy: -52.696 flat angles C4'-P-C4' energy: -57.060 flat angles P-C4'-P energy: -40.040 tors. eta vs tors. theta energy: -24.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -329.227889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.227889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.227889 (E_RNA) where: Base-Base interactions energy: -147.009 where: short stacking energy: -116.989 Base-Backbone interact. energy: -1.452 local terms energy: -180.767122 where: bonds (distance) C4'-P energy: -49.390 bonds (distance) P-C4' energy: -59.702 flat angles C4'-P-C4' energy: -56.841 flat angles P-C4'-P energy: -12.273 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -313.644425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.644425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.644425 (E_RNA) where: Base-Base interactions energy: -119.860 where: short stacking energy: -97.000 Base-Backbone interact. energy: 2.609 local terms energy: -196.392684 where: bonds (distance) C4'-P energy: -53.205 bonds (distance) P-C4' energy: -54.107 flat angles C4'-P-C4' energy: -50.360 flat angles P-C4'-P energy: -36.996 tors. eta vs tors. theta energy: -1.725 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: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1058.674930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.674930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.674930 (E_RNA) where: Base-Base interactions energy: -720.306 where: short stacking energy: -306.038 Base-Backbone interact. energy: -0.504 local terms energy: -337.864556 where: bonds (distance) C4'-P energy: -57.039 bonds (distance) P-C4' energy: -67.173 flat angles C4'-P-C4' energy: -72.139 flat angles P-C4'-P energy: -53.405 tors. eta vs tors. theta energy: -88.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -984.980420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.980420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.980420 (E_RNA) where: Base-Base interactions energy: -676.845 where: short stacking energy: -299.364 Base-Backbone interact. energy: -0.102 local terms energy: -308.033801 where: bonds (distance) C4'-P energy: -61.252 bonds (distance) P-C4' energy: -62.942 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -40.168 tors. eta vs tors. theta energy: -83.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -921.134741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.134741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.134741 (E_RNA) where: Base-Base interactions energy: -612.322 where: short stacking energy: -276.395 Base-Backbone interact. energy: -0.487 local terms energy: -308.325362 where: bonds (distance) C4'-P energy: -59.335 bonds (distance) P-C4' energy: -69.696 flat angles C4'-P-C4' energy: -66.019 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: -73.019 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: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -899.075738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.075738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.075738 (E_RNA) where: Base-Base interactions energy: -594.816 where: short stacking energy: -270.588 Base-Backbone interact. energy: -1.091 local terms energy: -303.168541 where: bonds (distance) C4'-P energy: -52.506 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -73.082 flat angles P-C4'-P energy: -45.669 tors. eta vs tors. theta energy: -70.553 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: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -873.754391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.754391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.754391 (E_RNA) where: Base-Base interactions energy: -571.262 where: short stacking energy: -266.127 Base-Backbone interact. energy: -1.122 local terms energy: -301.370162 where: bonds (distance) C4'-P energy: -54.860 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -63.991 flat angles P-C4'-P energy: -45.052 tors. eta vs tors. theta energy: -78.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -753.710627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.710627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.710627 (E_RNA) where: Base-Base interactions energy: -465.416 where: short stacking energy: -229.032 Base-Backbone interact. energy: -1.062 local terms energy: -287.232957 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -57.860 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -46.377 tors. eta vs tors. theta energy: -60.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -724.266582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.266582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.266582 (E_RNA) where: Base-Base interactions energy: -456.448 where: short stacking energy: -201.333 Base-Backbone interact. energy: 1.173 local terms energy: -268.992050 where: bonds (distance) C4'-P energy: -52.662 bonds (distance) P-C4' energy: -71.589 flat angles C4'-P-C4' energy: -55.865 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -49.177 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: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -525.208511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.208511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.208511 (E_RNA) where: Base-Base interactions energy: -309.484 where: short stacking energy: -153.598 Base-Backbone interact. energy: -0.332 local terms energy: -215.392882 where: bonds (distance) C4'-P energy: -50.072 bonds (distance) P-C4' energy: -57.356 flat angles C4'-P-C4' energy: -49.103 flat angles P-C4'-P energy: -36.149 tors. eta vs tors. theta energy: -22.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -337.745672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.745672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.745672 (E_RNA) where: Base-Base interactions energy: -152.158 where: short stacking energy: -116.973 Base-Backbone interact. energy: 3.137 local terms energy: -188.724674 where: bonds (distance) C4'-P energy: -48.603 bonds (distance) P-C4' energy: -52.854 flat angles C4'-P-C4' energy: -49.536 flat angles P-C4'-P energy: -29.008 tors. eta vs tors. theta energy: -8.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -256.472190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.472190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.472190 (E_RNA) where: Base-Base interactions energy: -91.106 where: short stacking energy: -80.028 Base-Backbone interact. energy: -1.289 local terms energy: -164.076570 where: bonds (distance) C4'-P energy: -52.150 bonds (distance) P-C4' energy: -43.409 flat angles C4'-P-C4' energy: -52.160 flat angles P-C4'-P energy: -27.415 tors. eta vs tors. theta energy: 11.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1041.529259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.529259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.529259 (E_RNA) where: Base-Base interactions energy: -715.163 where: short stacking energy: -313.063 Base-Backbone interact. energy: -0.969 local terms energy: -325.396884 where: bonds (distance) C4'-P energy: -56.460 bonds (distance) P-C4' energy: -59.063 flat angles C4'-P-C4' energy: -71.208 flat angles P-C4'-P energy: -50.222 tors. eta vs tors. theta energy: -88.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -968.859901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.859901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.859901 (E_RNA) where: Base-Base interactions energy: -648.580 where: short stacking energy: -288.263 Base-Backbone interact. energy: -1.664 local terms energy: -318.615934 where: bonds (distance) C4'-P energy: -58.193 bonds (distance) P-C4' energy: -69.049 flat angles C4'-P-C4' energy: -70.872 flat angles P-C4'-P energy: -39.902 tors. eta vs tors. theta energy: -80.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -909.345985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.345985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.345985 (E_RNA) where: Base-Base interactions energy: -606.941 where: short stacking energy: -286.270 Base-Backbone interact. energy: 3.144 local terms energy: -305.548466 where: bonds (distance) C4'-P energy: -62.954 bonds (distance) P-C4' energy: -53.585 flat angles C4'-P-C4' energy: -68.864 flat angles P-C4'-P energy: -41.183 tors. eta vs tors. theta energy: -78.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -911.614638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.614638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.614638 (E_RNA) where: Base-Base interactions energy: -607.537 where: short stacking energy: -279.662 Base-Backbone interact. energy: 0.024 local terms energy: -304.101898 where: bonds (distance) C4'-P energy: -52.681 bonds (distance) P-C4' energy: -61.089 flat angles C4'-P-C4' energy: -72.276 flat angles P-C4'-P energy: -41.323 tors. eta vs tors. theta energy: -76.733 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: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -836.290426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.290426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.290426 (E_RNA) where: Base-Base interactions energy: -541.307 where: short stacking energy: -246.617 Base-Backbone interact. energy: -0.031 local terms energy: -294.952839 where: bonds (distance) C4'-P energy: -58.764 bonds (distance) P-C4' energy: -48.622 flat angles C4'-P-C4' energy: -63.663 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -71.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -736.959503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.959503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.959503 (E_RNA) where: Base-Base interactions energy: -470.682 where: short stacking energy: -228.206 Base-Backbone interact. energy: -0.879 local terms energy: -265.398577 where: bonds (distance) C4'-P energy: -54.063 bonds (distance) P-C4' energy: -50.223 flat angles C4'-P-C4' energy: -72.254 flat angles P-C4'-P energy: -36.273 tors. eta vs tors. theta energy: -52.587 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: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -702.165074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.165074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.165074 (E_RNA) where: Base-Base interactions energy: -475.020 where: short stacking energy: -189.469 Base-Backbone interact. energy: -1.484 local terms energy: -225.661068 where: bonds (distance) C4'-P energy: -56.935 bonds (distance) P-C4' energy: -49.237 flat angles C4'-P-C4' energy: -52.519 flat angles P-C4'-P energy: -33.664 tors. eta vs tors. theta energy: -33.305 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: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -538.255542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.255542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.255542 (E_RNA) where: Base-Base interactions energy: -325.712 where: short stacking energy: -150.290 Base-Backbone interact. energy: -2.087 local terms energy: -210.457096 where: bonds (distance) C4'-P energy: -52.492 bonds (distance) P-C4' energy: -55.462 flat angles C4'-P-C4' energy: -57.041 flat angles P-C4'-P energy: -22.148 tors. eta vs tors. theta energy: -23.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -276.057453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.057453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.057453 (E_RNA) where: Base-Base interactions energy: -88.091 where: short stacking energy: -82.161 Base-Backbone interact. energy: 0.501 local terms energy: -188.467734 where: bonds (distance) C4'-P energy: -56.974 bonds (distance) P-C4' energy: -68.790 flat angles C4'-P-C4' energy: -51.318 flat angles P-C4'-P energy: -13.042 tors. eta vs tors. theta energy: 1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -268.950121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.950121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.950121 (E_RNA) where: Base-Base interactions energy: -101.724 where: short stacking energy: -87.779 Base-Backbone interact. energy: -0.444 local terms energy: -166.782910 where: bonds (distance) C4'-P energy: -58.227 bonds (distance) P-C4' energy: -53.874 flat angles C4'-P-C4' energy: -36.051 flat angles P-C4'-P energy: -21.388 tors. eta vs tors. theta energy: 2.757 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: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1043.277074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.277074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.277074 (E_RNA) where: Base-Base interactions energy: -710.886 where: short stacking energy: -326.253 Base-Backbone interact. energy: -0.066 local terms energy: -332.325206 where: bonds (distance) C4'-P energy: -56.870 bonds (distance) P-C4' energy: -64.750 flat angles C4'-P-C4' energy: -74.694 flat angles P-C4'-P energy: -46.706 tors. eta vs tors. theta energy: -89.305 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: 2, replica: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -983.950801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.950801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.950801 (E_RNA) where: Base-Base interactions energy: -659.299 where: short stacking energy: -302.511 Base-Backbone interact. energy: 2.207 local terms energy: -326.859457 where: bonds (distance) C4'-P energy: -56.922 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -69.877 flat angles P-C4'-P energy: -49.506 tors. eta vs tors. theta energy: -80.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -921.125552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.125552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.125552 (E_RNA) where: Base-Base interactions energy: -610.577 where: short stacking energy: -266.320 Base-Backbone interact. energy: 0.902 local terms energy: -311.451189 where: bonds (distance) C4'-P energy: -67.584 bonds (distance) P-C4' energy: -55.149 flat angles C4'-P-C4' energy: -68.532 flat angles P-C4'-P energy: -48.211 tors. eta vs tors. theta energy: -71.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -911.069270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.069270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.069270 (E_RNA) where: Base-Base interactions energy: -606.300 where: short stacking energy: -276.689 Base-Backbone interact. energy: 1.926 local terms energy: -306.695657 where: bonds (distance) C4'-P energy: -60.876 bonds (distance) P-C4' energy: -69.022 flat angles C4'-P-C4' energy: -66.493 flat angles P-C4'-P energy: -26.815 tors. eta vs tors. theta energy: -83.490 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: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -851.147364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.147364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.147364 (E_RNA) where: Base-Base interactions energy: -543.192 where: short stacking energy: -262.188 Base-Backbone interact. energy: -0.038 local terms energy: -307.917224 where: bonds (distance) C4'-P energy: -44.609 bonds (distance) P-C4' energy: -73.588 flat angles C4'-P-C4' energy: -69.274 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: -78.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -770.377360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.377360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.377360 (E_RNA) where: Base-Base interactions energy: -501.525 where: short stacking energy: -225.625 Base-Backbone interact. energy: -0.917 local terms energy: -267.934980 where: bonds (distance) C4'-P energy: -54.696 bonds (distance) P-C4' energy: -53.401 flat angles C4'-P-C4' energy: -64.507 flat angles P-C4'-P energy: -38.854 tors. eta vs tors. theta energy: -56.477 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: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -754.533634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.533634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.533634 (E_RNA) where: Base-Base interactions energy: -486.770 where: short stacking energy: -233.620 Base-Backbone interact. energy: -0.881 local terms energy: -266.883053 where: bonds (distance) C4'-P energy: -42.724 bonds (distance) P-C4' energy: -57.002 flat angles C4'-P-C4' energy: -62.575 flat angles P-C4'-P energy: -37.034 tors. eta vs tors. theta energy: -67.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -551.597711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.597711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.597711 (E_RNA) where: Base-Base interactions energy: -330.844 where: short stacking energy: -163.271 Base-Backbone interact. energy: -0.633 local terms energy: -220.120985 where: bonds (distance) C4'-P energy: -47.660 bonds (distance) P-C4' energy: -64.283 flat angles C4'-P-C4' energy: -56.017 flat angles P-C4'-P energy: -28.306 tors. eta vs tors. theta energy: -23.855 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: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -296.666762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.666762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.666762 (E_RNA) where: Base-Base interactions energy: -120.991 where: short stacking energy: -110.607 Base-Backbone interact. energy: 3.081 local terms energy: -178.756345 where: bonds (distance) C4'-P energy: -47.322 bonds (distance) P-C4' energy: -56.817 flat angles C4'-P-C4' energy: -45.815 flat angles P-C4'-P energy: -25.776 tors. eta vs tors. theta energy: -3.026 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: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -275.372657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.372657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.372657 (E_RNA) where: Base-Base interactions energy: -97.890 where: short stacking energy: -80.258 Base-Backbone interact. energy: -0.299 local terms energy: -177.183749 where: bonds (distance) C4'-P energy: -51.100 bonds (distance) P-C4' energy: -50.702 flat angles C4'-P-C4' energy: -36.432 flat angles P-C4'-P energy: -35.005 tors. eta vs tors. theta energy: -3.945 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: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1033.672220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.672220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.672220 (E_RNA) where: Base-Base interactions energy: -681.649 where: short stacking energy: -321.474 Base-Backbone interact. energy: -1.853 local terms energy: -350.170305 where: bonds (distance) C4'-P energy: -73.459 bonds (distance) P-C4' energy: -65.058 flat angles C4'-P-C4' energy: -71.295 flat angles P-C4'-P energy: -50.169 tors. eta vs tors. theta energy: -90.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1003.568359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.568359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.568359 (E_RNA) where: Base-Base interactions energy: -671.951 where: short stacking energy: -295.740 Base-Backbone interact. energy: -1.026 local terms energy: -330.591196 where: bonds (distance) C4'-P energy: -59.141 bonds (distance) P-C4' energy: -65.177 flat angles C4'-P-C4' energy: -69.639 flat angles P-C4'-P energy: -51.053 tors. eta vs tors. theta energy: -85.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -899.174879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.174879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.174879 (E_RNA) where: Base-Base interactions energy: -581.952 where: short stacking energy: -270.883 Base-Backbone interact. energy: -0.820 local terms energy: -316.402712 where: bonds (distance) C4'-P energy: -65.405 bonds (distance) P-C4' energy: -60.618 flat angles C4'-P-C4' energy: -64.812 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -75.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -893.533306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.533306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.533306 (E_RNA) where: Base-Base interactions energy: -597.476 where: short stacking energy: -258.912 Base-Backbone interact. energy: 0.474 local terms energy: -296.530996 where: bonds (distance) C4'-P energy: -60.574 bonds (distance) P-C4' energy: -62.814 flat angles C4'-P-C4' energy: -51.579 flat angles P-C4'-P energy: -49.661 tors. eta vs tors. theta energy: -71.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -874.199337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.199337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.199337 (E_RNA) where: Base-Base interactions energy: -584.860 where: short stacking energy: -255.927 Base-Backbone interact. energy: -0.212 local terms energy: -289.127175 where: bonds (distance) C4'-P energy: -40.901 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -69.371 flat angles P-C4'-P energy: -44.251 tors. eta vs tors. theta energy: -77.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -754.000669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.000669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.000669 (E_RNA) where: Base-Base interactions energy: -494.952 where: short stacking energy: -227.749 Base-Backbone interact. energy: 0.076 local terms energy: -259.124200 where: bonds (distance) C4'-P energy: -65.088 bonds (distance) P-C4' energy: -60.686 flat angles C4'-P-C4' energy: -45.809 flat angles P-C4'-P energy: -34.553 tors. eta vs tors. theta energy: -52.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -746.789754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.789754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.789754 (E_RNA) where: Base-Base interactions energy: -479.513 where: short stacking energy: -258.015 Base-Backbone interact. energy: 1.237 local terms energy: -268.513552 where: bonds (distance) C4'-P energy: -60.781 bonds (distance) P-C4' energy: -45.501 flat angles C4'-P-C4' energy: -54.664 flat angles P-C4'-P energy: -41.733 tors. eta vs tors. theta energy: -65.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -558.078091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.078091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.078091 (E_RNA) where: Base-Base interactions energy: -333.575 where: short stacking energy: -162.585 Base-Backbone interact. energy: -2.917 local terms energy: -221.586202 where: bonds (distance) C4'-P energy: -49.783 bonds (distance) P-C4' energy: -64.074 flat angles C4'-P-C4' energy: -48.161 flat angles P-C4'-P energy: -26.832 tors. eta vs tors. theta energy: -32.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -275.570425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.570425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.570425 (E_RNA) where: Base-Base interactions energy: -127.241 where: short stacking energy: -84.717 Base-Backbone interact. energy: 1.857 local terms energy: -150.186653 where: bonds (distance) C4'-P energy: -46.604 bonds (distance) P-C4' energy: -47.193 flat angles C4'-P-C4' energy: -43.344 flat angles P-C4'-P energy: -13.181 tors. eta vs tors. theta energy: 0.136 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: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -269.322536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.322536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.322536 (E_RNA) where: Base-Base interactions energy: -98.705 where: short stacking energy: -91.190 Base-Backbone interact. energy: 0.274 local terms energy: -170.891550 where: bonds (distance) C4'-P energy: -48.757 bonds (distance) P-C4' energy: -47.985 flat angles C4'-P-C4' energy: -40.146 flat angles P-C4'-P energy: -27.035 tors. eta vs tors. theta energy: -6.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1037.225723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.225723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.225723 (E_RNA) where: Base-Base interactions energy: -700.533 where: short stacking energy: -331.442 Base-Backbone interact. energy: -0.127 local terms energy: -336.566478 where: bonds (distance) C4'-P energy: -63.736 bonds (distance) P-C4' energy: -67.687 flat angles C4'-P-C4' energy: -69.355 flat angles P-C4'-P energy: -47.336 tors. eta vs tors. theta energy: -88.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -991.430072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.430072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.430072 (E_RNA) where: Base-Base interactions energy: -676.478 where: short stacking energy: -291.260 Base-Backbone interact. energy: 0.413 local terms energy: -315.364967 where: bonds (distance) C4'-P energy: -55.568 bonds (distance) P-C4' energy: -64.714 flat angles C4'-P-C4' energy: -63.189 flat angles P-C4'-P energy: -43.962 tors. eta vs tors. theta energy: -87.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -924.666556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.666556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.666556 (E_RNA) where: Base-Base interactions energy: -622.652 where: short stacking energy: -299.155 Base-Backbone interact. energy: -1.371 local terms energy: -300.643735 where: bonds (distance) C4'-P energy: -53.973 bonds (distance) P-C4' energy: -56.983 flat angles C4'-P-C4' energy: -65.694 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -84.962 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: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -892.243433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.243433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.243433 (E_RNA) where: Base-Base interactions energy: -587.735 where: short stacking energy: -271.336 Base-Backbone interact. energy: -1.048 local terms energy: -303.460873 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -51.162 flat angles C4'-P-C4' energy: -68.195 flat angles P-C4'-P energy: -42.448 tors. eta vs tors. theta energy: -79.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -868.202105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.202105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.202105 (E_RNA) where: Base-Base interactions energy: -565.950 where: short stacking energy: -263.787 Base-Backbone interact. energy: -1.967 local terms energy: -300.285633 where: bonds (distance) C4'-P energy: -59.968 bonds (distance) P-C4' energy: -60.565 flat angles C4'-P-C4' energy: -59.993 flat angles P-C4'-P energy: -44.597 tors. eta vs tors. theta energy: -75.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -799.707824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.707824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.707824 (E_RNA) where: Base-Base interactions energy: -532.256 where: short stacking energy: -250.523 Base-Backbone interact. energy: -0.373 local terms energy: -267.079650 where: bonds (distance) C4'-P energy: -50.214 bonds (distance) P-C4' energy: -57.487 flat angles C4'-P-C4' energy: -63.094 flat angles P-C4'-P energy: -36.770 tors. eta vs tors. theta energy: -59.515 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: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -757.332545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.332545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.332545 (E_RNA) where: Base-Base interactions energy: -468.444 where: short stacking energy: -238.459 Base-Backbone interact. energy: 0.614 local terms energy: -289.502149 where: bonds (distance) C4'-P energy: -57.484 bonds (distance) P-C4' energy: -51.244 flat angles C4'-P-C4' energy: -68.167 flat angles P-C4'-P energy: -46.077 tors. eta vs tors. theta energy: -66.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -561.812053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.812053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.812053 (E_RNA) where: Base-Base interactions energy: -334.981 where: short stacking energy: -147.760 Base-Backbone interact. energy: 2.296 local terms energy: -229.127179 where: bonds (distance) C4'-P energy: -69.816 bonds (distance) P-C4' energy: -63.236 flat angles C4'-P-C4' energy: -45.999 flat angles P-C4'-P energy: -32.170 tors. eta vs tors. theta energy: -17.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -306.264590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.264590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.264590 (E_RNA) where: Base-Base interactions energy: -128.365 where: short stacking energy: -100.932 Base-Backbone interact. energy: -0.165 local terms energy: -177.734550 where: bonds (distance) C4'-P energy: -47.123 bonds (distance) P-C4' energy: -55.200 flat angles C4'-P-C4' energy: -47.829 flat angles P-C4'-P energy: -23.066 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -263.394290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.394290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.394290 (E_RNA) where: Base-Base interactions energy: -92.972 where: short stacking energy: -86.502 Base-Backbone interact. energy: -0.819 local terms energy: -169.603618 where: bonds (distance) C4'-P energy: -43.642 bonds (distance) P-C4' energy: -62.289 flat angles C4'-P-C4' energy: -41.656 flat angles P-C4'-P energy: -23.718 tors. eta vs tors. theta energy: 1.701 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: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1049.315073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.315073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.315073 (E_RNA) where: Base-Base interactions energy: -712.624 where: short stacking energy: -308.397 Base-Backbone interact. energy: -0.534 local terms energy: -336.156767 where: bonds (distance) C4'-P energy: -65.457 bonds (distance) P-C4' energy: -65.165 flat angles C4'-P-C4' energy: -77.444 flat angles P-C4'-P energy: -48.584 tors. eta vs tors. theta energy: -79.507 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: 2, replica: 2 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -988.084572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.084572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.084572 (E_RNA) where: Base-Base interactions energy: -678.558 where: short stacking energy: -294.410 Base-Backbone interact. energy: -0.521 local terms energy: -309.006138 where: bonds (distance) C4'-P energy: -55.696 bonds (distance) P-C4' energy: -48.906 flat angles C4'-P-C4' energy: -66.624 flat angles P-C4'-P energy: -52.169 tors. eta vs tors. theta energy: -85.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -942.409532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.409532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.409532 (E_RNA) where: Base-Base interactions energy: -623.891 where: short stacking energy: -299.389 Base-Backbone interact. energy: -0.465 local terms energy: -318.053647 where: bonds (distance) C4'-P energy: -58.543 bonds (distance) P-C4' energy: -69.789 flat angles C4'-P-C4' energy: -71.114 flat angles P-C4'-P energy: -42.313 tors. eta vs tors. theta energy: -76.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -872.193905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.193905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.193905 (E_RNA) where: Base-Base interactions energy: -582.534 where: short stacking energy: -271.184 Base-Backbone interact. energy: 1.021 local terms energy: -290.681127 where: bonds (distance) C4'-P energy: -54.742 bonds (distance) P-C4' energy: -63.310 flat angles C4'-P-C4' energy: -62.434 flat angles P-C4'-P energy: -40.463 tors. eta vs tors. theta energy: -69.733 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: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -813.701534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.701534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.701534 (E_RNA) where: Base-Base interactions energy: -527.721 where: short stacking energy: -228.208 Base-Backbone interact. energy: -0.911 local terms energy: -285.068945 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -57.310 flat angles C4'-P-C4' energy: -65.225 flat angles P-C4'-P energy: -42.784 tors. eta vs tors. theta energy: -56.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -789.782142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.782142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.782142 (E_RNA) where: Base-Base interactions energy: -506.285 where: short stacking energy: -220.969 Base-Backbone interact. energy: 1.805 local terms energy: -285.302399 where: bonds (distance) C4'-P energy: -52.877 bonds (distance) P-C4' energy: -61.485 flat angles C4'-P-C4' energy: -72.252 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -62.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -715.824468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.824468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.824468 (E_RNA) where: Base-Base interactions energy: -449.980 where: short stacking energy: -210.103 Base-Backbone interact. energy: 0.194 local terms energy: -266.038459 where: bonds (distance) C4'-P energy: -63.248 bonds (distance) P-C4' energy: -53.746 flat angles C4'-P-C4' energy: -64.133 flat angles P-C4'-P energy: -27.547 tors. eta vs tors. theta energy: -57.365 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: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -536.573515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.573515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.573515 (E_RNA) where: Base-Base interactions energy: -317.970 where: short stacking energy: -156.668 Base-Backbone interact. energy: -0.007 local terms energy: -218.596364 where: bonds (distance) C4'-P energy: -49.104 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -46.621 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: -26.355 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: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -299.007304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.007304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.007304 (E_RNA) where: Base-Base interactions energy: -99.647 where: short stacking energy: -76.053 Base-Backbone interact. energy: -1.218 local terms energy: -198.142967 where: bonds (distance) C4'-P energy: -49.141 bonds (distance) P-C4' energy: -58.049 flat angles C4'-P-C4' energy: -50.588 flat angles P-C4'-P energy: -40.111 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -255.183353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.183353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.183353 (E_RNA) where: Base-Base interactions energy: -102.440 where: short stacking energy: -72.087 Base-Backbone interact. energy: -2.238 local terms energy: -150.505109 where: bonds (distance) C4'-P energy: -44.300 bonds (distance) P-C4' energy: -41.872 flat angles C4'-P-C4' energy: -37.983 flat angles P-C4'-P energy: -36.051 tors. eta vs tors. theta energy: 9.701 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: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1069.104827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.104827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.104827 (E_RNA) where: Base-Base interactions energy: -744.147 where: short stacking energy: -331.754 Base-Backbone interact. energy: -0.338 local terms energy: -324.620470 where: bonds (distance) C4'-P energy: -63.614 bonds (distance) P-C4' energy: -58.749 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -86.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -972.155499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.155499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.155499 (E_RNA) where: Base-Base interactions energy: -649.017 where: short stacking energy: -288.868 Base-Backbone interact. energy: -1.728 local terms energy: -321.411037 where: bonds (distance) C4'-P energy: -54.058 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -72.211 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -78.598 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: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -928.421739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.421739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.421739 (E_RNA) where: Base-Base interactions energy: -624.194 where: short stacking energy: -290.902 Base-Backbone interact. energy: -1.032 local terms energy: -303.195064 where: bonds (distance) C4'-P energy: -61.287 bonds (distance) P-C4' energy: -50.992 flat angles C4'-P-C4' energy: -66.225 flat angles P-C4'-P energy: -48.098 tors. eta vs tors. theta energy: -76.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -913.997256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.997256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.997256 (E_RNA) where: Base-Base interactions energy: -617.209 where: short stacking energy: -286.364 Base-Backbone interact. energy: -0.843 local terms energy: -295.945096 where: bonds (distance) C4'-P energy: -56.929 bonds (distance) P-C4' energy: -63.940 flat angles C4'-P-C4' energy: -62.812 flat angles P-C4'-P energy: -37.119 tors. eta vs tors. theta energy: -75.145 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: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -852.058981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.058981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.058981 (E_RNA) where: Base-Base interactions energy: -574.451 where: short stacking energy: -256.668 Base-Backbone interact. energy: -2.205 local terms energy: -275.403008 where: bonds (distance) C4'-P energy: -48.293 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -53.800 flat angles P-C4'-P energy: -35.062 tors. eta vs tors. theta energy: -75.376 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: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -772.037397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.037397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.037397 (E_RNA) where: Base-Base interactions energy: -492.363 where: short stacking energy: -240.129 Base-Backbone interact. energy: 0.756 local terms energy: -280.431304 where: bonds (distance) C4'-P energy: -61.416 bonds (distance) P-C4' energy: -52.746 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -36.607 tors. eta vs tors. theta energy: -68.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -713.455012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.455012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.455012 (E_RNA) where: Base-Base interactions energy: -438.122 where: short stacking energy: -201.452 Base-Backbone interact. energy: 1.164 local terms energy: -276.497704 where: bonds (distance) C4'-P energy: -59.239 bonds (distance) P-C4' energy: -59.303 flat angles C4'-P-C4' energy: -62.746 flat angles P-C4'-P energy: -43.064 tors. eta vs tors. theta energy: -52.145 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: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -542.713614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.713614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.713614 (E_RNA) where: Base-Base interactions energy: -331.066 where: short stacking energy: -150.378 Base-Backbone interact. energy: 2.860 local terms energy: -214.508014 where: bonds (distance) C4'-P energy: -53.768 bonds (distance) P-C4' energy: -55.647 flat angles C4'-P-C4' energy: -60.559 flat angles P-C4'-P energy: -25.375 tors. eta vs tors. theta energy: -19.159 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: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -291.282411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.282411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.282411 (E_RNA) where: Base-Base interactions energy: -108.763 where: short stacking energy: -92.052 Base-Backbone interact. energy: 2.008 local terms energy: -184.527488 where: bonds (distance) C4'-P energy: -58.377 bonds (distance) P-C4' energy: -48.419 flat angles C4'-P-C4' energy: -45.827 flat angles P-C4'-P energy: -31.360 tors. eta vs tors. theta energy: -0.544 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: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -255.788476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.788476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.788476 (E_RNA) where: Base-Base interactions energy: -79.781 where: short stacking energy: -55.699 Base-Backbone interact. energy: 3.790 local terms energy: -179.798244 where: bonds (distance) C4'-P energy: -52.057 bonds (distance) P-C4' energy: -50.111 flat angles C4'-P-C4' energy: -54.211 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: 18.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1071.003392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.003392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.003392 (E_RNA) where: Base-Base interactions energy: -731.866 where: short stacking energy: -316.557 Base-Backbone interact. energy: -1.317 local terms energy: -337.821255 where: bonds (distance) C4'-P energy: -68.502 bonds (distance) P-C4' energy: -63.190 flat angles C4'-P-C4' energy: -67.182 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -92.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1004.414459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.414459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.414459 (E_RNA) where: Base-Base interactions energy: -695.495 where: short stacking energy: -303.909 Base-Backbone interact. energy: -2.380 local terms energy: -306.539594 where: bonds (distance) C4'-P energy: -61.555 bonds (distance) P-C4' energy: -60.130 flat angles C4'-P-C4' energy: -57.854 flat angles P-C4'-P energy: -41.779 tors. eta vs tors. theta energy: -85.222 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: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -916.697724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.697724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.697724 (E_RNA) where: Base-Base interactions energy: -613.431 where: short stacking energy: -280.330 Base-Backbone interact. energy: -1.052 local terms energy: -302.215433 where: bonds (distance) C4'-P energy: -52.686 bonds (distance) P-C4' energy: -58.003 flat angles C4'-P-C4' energy: -70.677 flat angles P-C4'-P energy: -41.276 tors. eta vs tors. theta energy: -79.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -932.748509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.748509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.748509 (E_RNA) where: Base-Base interactions energy: -626.367 where: short stacking energy: -284.768 Base-Backbone interact. energy: -1.275 local terms energy: -305.106364 where: bonds (distance) C4'-P energy: -49.566 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -64.817 flat angles P-C4'-P energy: -54.984 tors. eta vs tors. theta energy: -73.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -870.309077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.309077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.309077 (E_RNA) where: Base-Base interactions energy: -582.916 where: short stacking energy: -257.156 Base-Backbone interact. energy: -2.244 local terms energy: -285.148846 where: bonds (distance) C4'-P energy: -52.836 bonds (distance) P-C4' energy: -56.951 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -36.170 tors. eta vs tors. theta energy: -73.543 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: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -779.714538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.714538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.714538 (E_RNA) where: Base-Base interactions energy: -503.916 where: short stacking energy: -219.537 Base-Backbone interact. energy: 2.266 local terms energy: -278.065044 where: bonds (distance) C4'-P energy: -62.409 bonds (distance) P-C4' energy: -64.338 flat angles C4'-P-C4' energy: -57.344 flat angles P-C4'-P energy: -37.390 tors. eta vs tors. theta energy: -56.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -695.344667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.344667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.344667 (E_RNA) where: Base-Base interactions energy: -435.615 where: short stacking energy: -207.485 Base-Backbone interact. energy: -0.991 local terms energy: -258.739425 where: bonds (distance) C4'-P energy: -53.623 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -67.794 flat angles P-C4'-P energy: -33.594 tors. eta vs tors. theta energy: -39.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -541.063975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.063975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.063975 (E_RNA) where: Base-Base interactions energy: -340.957 where: short stacking energy: -154.625 Base-Backbone interact. energy: -1.185 local terms energy: -198.922477 where: bonds (distance) C4'-P energy: -63.723 bonds (distance) P-C4' energy: -58.103 flat angles C4'-P-C4' energy: -30.104 flat angles P-C4'-P energy: -30.705 tors. eta vs tors. theta energy: -16.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -322.755974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.755974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.755974 (E_RNA) where: Base-Base interactions energy: -135.943 where: short stacking energy: -97.989 Base-Backbone interact. energy: 5.255 local terms energy: -192.067436 where: bonds (distance) C4'-P energy: -35.221 bonds (distance) P-C4' energy: -66.485 flat angles C4'-P-C4' energy: -56.386 flat angles P-C4'-P energy: -32.246 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -271.087503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.087503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.087503 (E_RNA) where: Base-Base interactions energy: -81.783 where: short stacking energy: -68.551 Base-Backbone interact. energy: -2.098 local terms energy: -187.206520 where: bonds (distance) C4'-P energy: -55.008 bonds (distance) P-C4' energy: -46.072 flat angles C4'-P-C4' energy: -54.889 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: 6.242 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: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1046.509451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.509451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.509451 (E_RNA) where: Base-Base interactions energy: -699.266 where: short stacking energy: -306.709 Base-Backbone interact. energy: -1.572 local terms energy: -345.671074 where: bonds (distance) C4'-P energy: -72.191 bonds (distance) P-C4' energy: -57.438 flat angles C4'-P-C4' energy: -71.419 flat angles P-C4'-P energy: -50.282 tors. eta vs tors. theta energy: -94.341 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: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -978.256019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.256019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.256019 (E_RNA) where: Base-Base interactions energy: -663.151 where: short stacking energy: -293.515 Base-Backbone interact. energy: -0.849 local terms energy: -314.256141 where: bonds (distance) C4'-P energy: -52.832 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -70.829 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -80.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -938.804386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.804386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.804386 (E_RNA) where: Base-Base interactions energy: -624.036 where: short stacking energy: -284.046 Base-Backbone interact. energy: -0.378 local terms energy: -314.390024 where: bonds (distance) C4'-P energy: -55.003 bonds (distance) P-C4' energy: -63.722 flat angles C4'-P-C4' energy: -70.925 flat angles P-C4'-P energy: -38.975 tors. eta vs tors. theta energy: -85.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -900.747547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.747547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.747547 (E_RNA) where: Base-Base interactions energy: -603.741 where: short stacking energy: -286.464 Base-Backbone interact. energy: -0.739 local terms energy: -296.268222 where: bonds (distance) C4'-P energy: -66.328 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -63.148 flat angles P-C4'-P energy: -31.073 tors. eta vs tors. theta energy: -71.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -844.875124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.875124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.875124 (E_RNA) where: Base-Base interactions energy: -571.474 where: short stacking energy: -257.194 Base-Backbone interact. energy: -0.149 local terms energy: -273.252754 where: bonds (distance) C4'-P energy: -46.821 bonds (distance) P-C4' energy: -53.933 flat angles C4'-P-C4' energy: -64.312 flat angles P-C4'-P energy: -46.039 tors. eta vs tors. theta energy: -62.148 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: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -816.443646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.443646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.443646 (E_RNA) where: Base-Base interactions energy: -532.004 where: short stacking energy: -252.434 Base-Backbone interact. energy: -1.102 local terms energy: -283.337859 where: bonds (distance) C4'-P energy: -52.923 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -65.177 flat angles P-C4'-P energy: -40.972 tors. eta vs tors. theta energy: -66.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -707.123769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.123769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.123769 (E_RNA) where: Base-Base interactions energy: -444.853 where: short stacking energy: -221.987 Base-Backbone interact. energy: -0.307 local terms energy: -261.964308 where: bonds (distance) C4'-P energy: -46.309 bonds (distance) P-C4' energy: -51.925 flat angles C4'-P-C4' energy: -57.910 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: -61.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -536.913936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.913936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.913936 (E_RNA) where: Base-Base interactions energy: -318.016 where: short stacking energy: -160.190 Base-Backbone interact. energy: -0.555 local terms energy: -218.342804 where: bonds (distance) C4'-P energy: -55.999 bonds (distance) P-C4' energy: -63.322 flat angles C4'-P-C4' energy: -44.097 flat angles P-C4'-P energy: -25.885 tors. eta vs tors. theta energy: -29.040 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: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -325.829037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.829037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.829037 (E_RNA) where: Base-Base interactions energy: -121.664 where: short stacking energy: -105.593 Base-Backbone interact. energy: -2.490 local terms energy: -201.675124 where: bonds (distance) C4'-P energy: -39.291 bonds (distance) P-C4' energy: -58.696 flat angles C4'-P-C4' energy: -63.633 flat angles P-C4'-P energy: -30.981 tors. eta vs tors. theta energy: -9.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -271.668363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.668363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.668363 (E_RNA) where: Base-Base interactions energy: -89.217 where: short stacking energy: -64.485 Base-Backbone interact. energy: 3.283 local terms energy: -185.734065 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -57.714 flat angles C4'-P-C4' energy: -53.893 flat angles P-C4'-P energy: -18.653 tors. eta vs tors. theta energy: 8.252 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: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1050.469396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.469396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.469396 (E_RNA) where: Base-Base interactions energy: -718.506 where: short stacking energy: -313.725 Base-Backbone interact. energy: -0.710 local terms energy: -331.253580 where: bonds (distance) C4'-P energy: -66.620 bonds (distance) P-C4' energy: -66.845 flat angles C4'-P-C4' energy: -72.376 flat angles P-C4'-P energy: -44.508 tors. eta vs tors. theta energy: -80.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -987.228487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.228487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.228487 (E_RNA) where: Base-Base interactions energy: -668.000 where: short stacking energy: -288.162 Base-Backbone interact. energy: -1.323 local terms energy: -317.905006 where: bonds (distance) C4'-P energy: -56.009 bonds (distance) P-C4' energy: -78.488 flat angles C4'-P-C4' energy: -70.949 flat angles P-C4'-P energy: -43.505 tors. eta vs tors. theta energy: -68.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -915.957310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.957310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.957310 (E_RNA) where: Base-Base interactions energy: -613.613 where: short stacking energy: -278.555 Base-Backbone interact. energy: -0.867 local terms energy: -301.476485 where: bonds (distance) C4'-P energy: -58.439 bonds (distance) P-C4' energy: -67.358 flat angles C4'-P-C4' energy: -59.221 flat angles P-C4'-P energy: -49.125 tors. eta vs tors. theta energy: -67.333 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: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -880.436416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.436416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.436416 (E_RNA) where: Base-Base interactions energy: -564.385 where: short stacking energy: -271.984 Base-Backbone interact. energy: -0.979 local terms energy: -315.072486 where: bonds (distance) C4'-P energy: -62.467 bonds (distance) P-C4' energy: -67.217 flat angles C4'-P-C4' energy: -69.275 flat angles P-C4'-P energy: -43.065 tors. eta vs tors. theta energy: -73.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -874.489721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.489721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.489721 (E_RNA) where: Base-Base interactions energy: -559.981 where: short stacking energy: -276.176 Base-Backbone interact. energy: -1.287 local terms energy: -313.221780 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -72.877 flat angles P-C4'-P energy: -41.718 tors. eta vs tors. theta energy: -81.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -780.662879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.662879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.662879 (E_RNA) where: Base-Base interactions energy: -515.898 where: short stacking energy: -224.225 Base-Backbone interact. energy: 0.497 local terms energy: -265.261233 where: bonds (distance) C4'-P energy: -52.779 bonds (distance) P-C4' energy: -56.985 flat angles C4'-P-C4' energy: -67.471 flat angles P-C4'-P energy: -30.971 tors. eta vs tors. theta energy: -57.055 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: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -724.521143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.521143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.521143 (E_RNA) where: Base-Base interactions energy: -438.189 where: short stacking energy: -218.016 Base-Backbone interact. energy: -1.070 local terms energy: -285.261769 where: bonds (distance) C4'-P energy: -63.251 bonds (distance) P-C4' energy: -63.461 flat angles C4'-P-C4' energy: -63.344 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -53.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -474.309891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.309891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.309891 (E_RNA) where: Base-Base interactions energy: -256.543 where: short stacking energy: -145.115 Base-Backbone interact. energy: -0.706 local terms energy: -217.061245 where: bonds (distance) C4'-P energy: -50.407 bonds (distance) P-C4' energy: -56.207 flat angles C4'-P-C4' energy: -50.926 flat angles P-C4'-P energy: -36.738 tors. eta vs tors. theta energy: -22.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -282.861441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.861441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.861441 (E_RNA) where: Base-Base interactions energy: -105.833 where: short stacking energy: -89.666 Base-Backbone interact. energy: -0.208 local terms energy: -176.820132 where: bonds (distance) C4'-P energy: -43.504 bonds (distance) P-C4' energy: -57.165 flat angles C4'-P-C4' energy: -46.680 flat angles P-C4'-P energy: -32.572 tors. eta vs tors. theta energy: 3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -265.119761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.119761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.119761 (E_RNA) where: Base-Base interactions energy: -85.127 where: short stacking energy: -57.719 Base-Backbone interact. energy: -0.491 local terms energy: -179.501757 where: bonds (distance) C4'-P energy: -61.911 bonds (distance) P-C4' energy: -58.224 flat angles C4'-P-C4' energy: -48.114 flat angles P-C4'-P energy: -17.954 tors. eta vs tors. theta energy: 6.701 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: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1051.387082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.387082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.387082 (E_RNA) where: Base-Base interactions energy: -720.483 where: short stacking energy: -311.325 Base-Backbone interact. energy: -0.727 local terms energy: -330.176799 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -63.931 flat angles C4'-P-C4' energy: -73.487 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -80.711 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: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -974.404966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.404966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.404966 (E_RNA) where: Base-Base interactions energy: -642.784 where: short stacking energy: -288.443 Base-Backbone interact. energy: -1.258 local terms energy: -330.363092 where: bonds (distance) C4'-P energy: -62.490 bonds (distance) P-C4' energy: -70.033 flat angles C4'-P-C4' energy: -66.220 flat angles P-C4'-P energy: -52.579 tors. eta vs tors. theta energy: -79.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -950.234867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.234867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.234867 (E_RNA) where: Base-Base interactions energy: -642.302 where: short stacking energy: -292.505 Base-Backbone interact. energy: -0.957 local terms energy: -306.976303 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -60.597 flat angles C4'-P-C4' energy: -66.852 flat angles P-C4'-P energy: -40.958 tors. eta vs tors. theta energy: -72.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -881.080294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.080294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.080294 (E_RNA) where: Base-Base interactions energy: -584.118 where: short stacking energy: -258.423 Base-Backbone interact. energy: -1.056 local terms energy: -295.906170 where: bonds (distance) C4'-P energy: -63.006 bonds (distance) P-C4' energy: -59.767 flat angles C4'-P-C4' energy: -59.244 flat angles P-C4'-P energy: -46.958 tors. eta vs tors. theta energy: -66.931 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: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -877.565869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.565869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.565869 (E_RNA) where: Base-Base interactions energy: -565.892 where: short stacking energy: -264.580 Base-Backbone interact. energy: -0.493 local terms energy: -311.181594 where: bonds (distance) C4'-P energy: -60.240 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -71.008 flat angles P-C4'-P energy: -40.575 tors. eta vs tors. theta energy: -79.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -812.315432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.315432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.315432 (E_RNA) where: Base-Base interactions energy: -506.511 where: short stacking energy: -241.562 Base-Backbone interact. energy: -0.927 local terms energy: -304.877166 where: bonds (distance) C4'-P energy: -55.986 bonds (distance) P-C4' energy: -67.992 flat angles C4'-P-C4' energy: -61.027 flat angles P-C4'-P energy: -44.181 tors. eta vs tors. theta energy: -75.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -707.923573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.923573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.923573 (E_RNA) where: Base-Base interactions energy: -462.172 where: short stacking energy: -220.497 Base-Backbone interact. energy: -0.847 local terms energy: -244.904350 where: bonds (distance) C4'-P energy: -47.277 bonds (distance) P-C4' energy: -58.727 flat angles C4'-P-C4' energy: -52.591 flat angles P-C4'-P energy: -31.164 tors. eta vs tors. theta energy: -55.146 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: 8, replica: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -441.121026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.121026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.121026 (E_RNA) where: Base-Base interactions energy: -237.508 where: short stacking energy: -142.149 Base-Backbone interact. energy: 0.677 local terms energy: -204.289677 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -48.418 flat angles C4'-P-C4' energy: -37.983 flat angles P-C4'-P energy: -32.696 tors. eta vs tors. theta energy: -24.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -285.236077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.236077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.236077 (E_RNA) where: Base-Base interactions energy: -104.920 where: short stacking energy: -84.811 Base-Backbone interact. energy: -0.629 local terms energy: -179.687523 where: bonds (distance) C4'-P energy: -45.776 bonds (distance) P-C4' energy: -54.128 flat angles C4'-P-C4' energy: -51.960 flat angles P-C4'-P energy: -35.211 tors. eta vs tors. theta energy: 7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -285.788686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.788686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.788686 (E_RNA) where: Base-Base interactions energy: -96.454 where: short stacking energy: -90.456 Base-Backbone interact. energy: 0.321 local terms energy: -189.655235 where: bonds (distance) C4'-P energy: -46.330 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -48.111 flat angles P-C4'-P energy: -24.339 tors. eta vs tors. theta energy: -8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1051.582590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.582590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.582590 (E_RNA) where: Base-Base interactions energy: -709.051 where: short stacking energy: -312.593 Base-Backbone interact. energy: 0.283 local terms energy: -342.815385 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -69.665 flat angles C4'-P-C4' energy: -68.074 flat angles P-C4'-P energy: -56.807 tors. eta vs tors. theta energy: -87.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -956.638546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.638546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.638546 (E_RNA) where: Base-Base interactions energy: -639.885 where: short stacking energy: -292.604 Base-Backbone interact. energy: -0.791 local terms energy: -315.962643 where: bonds (distance) C4'-P energy: -64.280 bonds (distance) P-C4' energy: -65.990 flat angles C4'-P-C4' energy: -64.892 flat angles P-C4'-P energy: -41.558 tors. eta vs tors. theta energy: -79.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -963.963960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.963960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.963960 (E_RNA) where: Base-Base interactions energy: -651.264 where: short stacking energy: -274.878 Base-Backbone interact. energy: -1.662 local terms energy: -311.038160 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -60.156 flat angles C4'-P-C4' energy: -62.716 flat angles P-C4'-P energy: -50.469 tors. eta vs tors. theta energy: -75.770 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: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -905.423025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.423025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.423025 (E_RNA) where: Base-Base interactions energy: -593.608 where: short stacking energy: -272.642 Base-Backbone interact. energy: 0.390 local terms energy: -312.205348 where: bonds (distance) C4'-P energy: -45.203 bonds (distance) P-C4' energy: -70.096 flat angles C4'-P-C4' energy: -74.498 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -70.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -843.872944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.872944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.872944 (E_RNA) where: Base-Base interactions energy: -568.740 where: short stacking energy: -238.734 Base-Backbone interact. energy: -1.132 local terms energy: -274.000989 where: bonds (distance) C4'-P energy: -59.555 bonds (distance) P-C4' energy: -50.698 flat angles C4'-P-C4' energy: -63.437 flat angles P-C4'-P energy: -34.768 tors. eta vs tors. theta energy: -65.543 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: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -830.724537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.724537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.724537 (E_RNA) where: Base-Base interactions energy: -573.823 where: short stacking energy: -259.016 Base-Backbone interact. energy: -0.156 local terms energy: -256.745056 where: bonds (distance) C4'-P energy: -44.778 bonds (distance) P-C4' energy: -46.907 flat angles C4'-P-C4' energy: -54.492 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -69.089 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: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -698.484960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.484960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.484960 (E_RNA) where: Base-Base interactions energy: -441.917 where: short stacking energy: -204.054 Base-Backbone interact. energy: 3.062 local terms energy: -259.629859 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -54.084 flat angles C4'-P-C4' energy: -63.669 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -40.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -429.100701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.100701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.100701 (E_RNA) where: Base-Base interactions energy: -199.673 where: short stacking energy: -131.426 Base-Backbone interact. energy: 0.453 local terms energy: -229.879805 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -61.678 flat angles P-C4'-P energy: -33.124 tors. eta vs tors. theta energy: -19.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -305.015234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.015234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.015234 (E_RNA) where: Base-Base interactions energy: -132.699 where: short stacking energy: -101.271 Base-Backbone interact. energy: -0.868 local terms energy: -171.447733 where: bonds (distance) C4'-P energy: -41.144 bonds (distance) P-C4' energy: -36.693 flat angles C4'-P-C4' energy: -46.012 flat angles P-C4'-P energy: -34.083 tors. eta vs tors. theta energy: -13.517 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: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -288.545757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.545757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.545757 (E_RNA) where: Base-Base interactions energy: -99.744 where: short stacking energy: -86.327 Base-Backbone interact. energy: -0.245 local terms energy: -188.556828 where: bonds (distance) C4'-P energy: -54.046 bonds (distance) P-C4' energy: -53.723 flat angles C4'-P-C4' energy: -48.649 flat angles P-C4'-P energy: -33.380 tors. eta vs tors. theta energy: 1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1025.131804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.131804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.131804 (E_RNA) where: Base-Base interactions energy: -706.208 where: short stacking energy: -301.340 Base-Backbone interact. energy: 0.516 local terms energy: -319.439874 where: bonds (distance) C4'-P energy: -59.818 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -65.790 flat angles P-C4'-P energy: -54.345 tors. eta vs tors. theta energy: -80.257 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: 297 Temperature: 0.950000 Total energy: -1000.597360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.597360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.597360 (E_RNA) where: Base-Base interactions energy: -670.232 where: short stacking energy: -299.385 Base-Backbone interact. energy: -1.202 local terms energy: -329.163755 where: bonds (distance) C4'-P energy: -64.831 bonds (distance) P-C4' energy: -64.417 flat angles C4'-P-C4' energy: -61.639 flat angles P-C4'-P energy: -54.160 tors. eta vs tors. theta energy: -84.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -944.741591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.741591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.741591 (E_RNA) where: Base-Base interactions energy: -631.312 where: short stacking energy: -284.926 Base-Backbone interact. energy: 1.272 local terms energy: -314.701743 where: bonds (distance) C4'-P energy: -71.040 bonds (distance) P-C4' energy: -59.717 flat angles C4'-P-C4' energy: -70.494 flat angles P-C4'-P energy: -31.494 tors. eta vs tors. theta energy: -81.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -892.726202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.726202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.726202 (E_RNA) where: Base-Base interactions energy: -584.970 where: short stacking energy: -267.581 Base-Backbone interact. energy: -1.420 local terms energy: -306.335651 where: bonds (distance) C4'-P energy: -57.305 bonds (distance) P-C4' energy: -59.780 flat angles C4'-P-C4' energy: -64.202 flat angles P-C4'-P energy: -42.970 tors. eta vs tors. theta energy: -82.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -856.929321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.929321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.929321 (E_RNA) where: Base-Base interactions energy: -571.818 where: short stacking energy: -270.582 Base-Backbone interact. energy: -1.721 local terms energy: -283.390381 where: bonds (distance) C4'-P energy: -52.891 bonds (distance) P-C4' energy: -44.537 flat angles C4'-P-C4' energy: -63.972 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -77.896 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: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -812.632869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.632869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.632869 (E_RNA) where: Base-Base interactions energy: -525.538 where: short stacking energy: -242.447 Base-Backbone interact. energy: -1.417 local terms energy: -285.677979 where: bonds (distance) C4'-P energy: -63.969 bonds (distance) P-C4' energy: -54.621 flat angles C4'-P-C4' energy: -67.156 flat angles P-C4'-P energy: -38.702 tors. eta vs tors. theta energy: -61.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -680.990077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.990077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.990077 (E_RNA) where: Base-Base interactions energy: -435.455 where: short stacking energy: -219.760 Base-Backbone interact. energy: 3.828 local terms energy: -249.363525 where: bonds (distance) C4'-P energy: -51.145 bonds (distance) P-C4' energy: -52.442 flat angles C4'-P-C4' energy: -60.914 flat angles P-C4'-P energy: -29.216 tors. eta vs tors. theta energy: -55.646 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: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -441.591302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.591302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.591302 (E_RNA) where: Base-Base interactions energy: -239.029 where: short stacking energy: -131.011 Base-Backbone interact. energy: -0.709 local terms energy: -201.853443 where: bonds (distance) C4'-P energy: -47.249 bonds (distance) P-C4' energy: -55.838 flat angles C4'-P-C4' energy: -55.254 flat angles P-C4'-P energy: -23.540 tors. eta vs tors. theta energy: -19.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -280.266897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.266897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.266897 (E_RNA) where: Base-Base interactions energy: -104.755 where: short stacking energy: -89.137 Base-Backbone interact. energy: -0.569 local terms energy: -174.943091 where: bonds (distance) C4'-P energy: -43.101 bonds (distance) P-C4' energy: -55.309 flat angles C4'-P-C4' energy: -52.050 flat angles P-C4'-P energy: -26.536 tors. eta vs tors. theta energy: 2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -251.148583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.148583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.148583 (E_RNA) where: Base-Base interactions energy: -75.843 where: short stacking energy: -61.419 Base-Backbone interact. energy: -0.929 local terms energy: -174.376490 where: bonds (distance) C4'-P energy: -52.692 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -44.311 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: 11.231 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: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1065.971895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.971895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.971895 (E_RNA) where: Base-Base interactions energy: -738.113 where: short stacking energy: -337.662 Base-Backbone interact. energy: -1.096 local terms energy: -326.762902 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -62.109 flat angles C4'-P-C4' energy: -70.557 flat angles P-C4'-P energy: -44.208 tors. eta vs tors. theta energy: -91.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1005.400440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.400440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.400440 (E_RNA) where: Base-Base interactions energy: -663.981 where: short stacking energy: -300.212 Base-Backbone interact. energy: -2.260 local terms energy: -339.159104 where: bonds (distance) C4'-P energy: -69.961 bonds (distance) P-C4' energy: -61.315 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: -82.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -951.058778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.058778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.058778 (E_RNA) where: Base-Base interactions energy: -621.592 where: short stacking energy: -297.405 Base-Backbone interact. energy: -0.459 local terms energy: -329.007944 where: bonds (distance) C4'-P energy: -67.511 bonds (distance) P-C4' energy: -67.870 flat angles C4'-P-C4' energy: -70.627 flat angles P-C4'-P energy: -40.706 tors. eta vs tors. theta energy: -82.294 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: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -877.318475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.318475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.318475 (E_RNA) where: Base-Base interactions energy: -578.311 where: short stacking energy: -264.665 Base-Backbone interact. energy: -0.812 local terms energy: -298.195778 where: bonds (distance) C4'-P energy: -51.997 bonds (distance) P-C4' energy: -64.396 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -45.841 tors. eta vs tors. theta energy: -67.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -826.000546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.000546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.000546 (E_RNA) where: Base-Base interactions energy: -554.059 where: short stacking energy: -246.426 Base-Backbone interact. energy: -0.231 local terms energy: -271.710925 where: bonds (distance) C4'-P energy: -45.860 bonds (distance) P-C4' energy: -54.329 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -46.215 tors. eta vs tors. theta energy: -58.699 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: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -781.134730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.134730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.134730 (E_RNA) where: Base-Base interactions energy: -518.184 where: short stacking energy: -227.930 Base-Backbone interact. energy: -0.553 local terms energy: -262.398079 where: bonds (distance) C4'-P energy: -55.168 bonds (distance) P-C4' energy: -54.624 flat angles C4'-P-C4' energy: -63.945 flat angles P-C4'-P energy: -32.352 tors. eta vs tors. theta energy: -56.309 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: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -688.228035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.228035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.228035 (E_RNA) where: Base-Base interactions energy: -440.711 where: short stacking energy: -218.434 Base-Backbone interact. energy: -1.716 local terms energy: -245.801207 where: bonds (distance) C4'-P energy: -59.372 bonds (distance) P-C4' energy: -55.004 flat angles C4'-P-C4' energy: -51.781 flat angles P-C4'-P energy: -28.040 tors. eta vs tors. theta energy: -51.605 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: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -426.807535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.807535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.807535 (E_RNA) where: Base-Base interactions energy: -222.642 where: short stacking energy: -131.747 Base-Backbone interact. energy: 3.100 local terms energy: -207.265879 where: bonds (distance) C4'-P energy: -58.141 bonds (distance) P-C4' energy: -56.481 flat angles C4'-P-C4' energy: -43.005 flat angles P-C4'-P energy: -36.720 tors. eta vs tors. theta energy: -12.918 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: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -291.053401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.053401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.053401 (E_RNA) where: Base-Base interactions energy: -99.394 where: short stacking energy: -86.110 Base-Backbone interact. energy: 1.361 local terms energy: -193.020532 where: bonds (distance) C4'-P energy: -47.541 bonds (distance) P-C4' energy: -55.144 flat angles C4'-P-C4' energy: -57.923 flat angles P-C4'-P energy: -38.428 tors. eta vs tors. theta energy: 6.015 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: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -277.590643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.590643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.590643 (E_RNA) where: Base-Base interactions energy: -119.639 where: short stacking energy: -93.754 Base-Backbone interact. energy: -1.491 local terms energy: -156.461013 where: bonds (distance) C4'-P energy: -51.393 bonds (distance) P-C4' energy: -50.250 flat angles C4'-P-C4' energy: -44.460 flat angles P-C4'-P energy: -21.355 tors. eta vs tors. theta energy: 10.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1058.793825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.793825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.793825 (E_RNA) where: Base-Base interactions energy: -737.340 where: short stacking energy: -320.685 Base-Backbone interact. energy: -1.133 local terms energy: -320.321232 where: bonds (distance) C4'-P energy: -55.565 bonds (distance) P-C4' energy: -66.663 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -88.942 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: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1009.121165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.121165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.121165 (E_RNA) where: Base-Base interactions energy: -687.583 where: short stacking energy: -314.263 Base-Backbone interact. energy: -0.993 local terms energy: -320.545222 where: bonds (distance) C4'-P energy: -51.495 bonds (distance) P-C4' energy: -67.424 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -39.251 tors. eta vs tors. theta energy: -90.442 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: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -940.566132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.566132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.566132 (E_RNA) where: Base-Base interactions energy: -620.474 where: short stacking energy: -296.053 Base-Backbone interact. energy: -0.812 local terms energy: -319.279740 where: bonds (distance) C4'-P energy: -62.579 bonds (distance) P-C4' energy: -65.992 flat angles C4'-P-C4' energy: -69.374 flat angles P-C4'-P energy: -37.177 tors. eta vs tors. theta energy: -84.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -878.147857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.147857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.147857 (E_RNA) where: Base-Base interactions energy: -579.286 where: short stacking energy: -257.196 Base-Backbone interact. energy: -2.744 local terms energy: -296.118230 where: bonds (distance) C4'-P energy: -45.433 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -66.506 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: -71.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -855.829975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.829975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.829975 (E_RNA) where: Base-Base interactions energy: -561.013 where: short stacking energy: -254.896 Base-Backbone interact. energy: 0.489 local terms energy: -295.305806 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -65.760 flat angles C4'-P-C4' energy: -55.216 flat angles P-C4'-P energy: -40.634 tors. eta vs tors. theta energy: -72.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -796.707268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.707268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.707268 (E_RNA) where: Base-Base interactions energy: -527.263 where: short stacking energy: -229.558 Base-Backbone interact. energy: -2.030 local terms energy: -267.414637 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -57.211 flat angles C4'-P-C4' energy: -54.744 flat angles P-C4'-P energy: -46.469 tors. eta vs tors. theta energy: -54.304 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: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -717.403134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.403134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.403134 (E_RNA) where: Base-Base interactions energy: -455.496 where: short stacking energy: -225.825 Base-Backbone interact. energy: -0.684 local terms energy: -261.222856 where: bonds (distance) C4'-P energy: -45.591 bonds (distance) P-C4' energy: -54.250 flat angles C4'-P-C4' energy: -65.854 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -51.869 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: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -456.440964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.440964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.440964 (E_RNA) where: Base-Base interactions energy: -222.087 where: short stacking energy: -137.261 Base-Backbone interact. energy: -0.406 local terms energy: -233.947727 where: bonds (distance) C4'-P energy: -63.436 bonds (distance) P-C4' energy: -55.019 flat angles C4'-P-C4' energy: -53.654 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -18.587 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: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -295.357666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.357666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.357666 (E_RNA) where: Base-Base interactions energy: -115.271 where: short stacking energy: -77.128 Base-Backbone interact. energy: -2.994 local terms energy: -177.092136 where: bonds (distance) C4'-P energy: -62.160 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -34.999 flat angles P-C4'-P energy: -16.806 tors. eta vs tors. theta energy: 0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -260.501641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.501641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.501641 (E_RNA) where: Base-Base interactions energy: -96.289 where: short stacking energy: -86.155 Base-Backbone interact. energy: 6.232 local terms energy: -170.444326 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -50.009 flat angles C4'-P-C4' energy: -46.227 flat angles P-C4'-P energy: -13.958 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1021.843032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.843032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.843032 (E_RNA) where: Base-Base interactions energy: -685.347 where: short stacking energy: -305.719 Base-Backbone interact. energy: -2.041 local terms energy: -334.454460 where: bonds (distance) C4'-P energy: -66.882 bonds (distance) P-C4' energy: -63.311 flat angles C4'-P-C4' energy: -76.682 flat angles P-C4'-P energy: -44.414 tors. eta vs tors. theta energy: -83.164 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: 2, replica: 9 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1009.482889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.482889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.482889 (E_RNA) where: Base-Base interactions energy: -658.412 where: short stacking energy: -292.457 Base-Backbone interact. energy: -1.587 local terms energy: -349.483595 where: bonds (distance) C4'-P energy: -68.441 bonds (distance) P-C4' energy: -75.961 flat angles C4'-P-C4' energy: -71.003 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -74.873 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: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -943.824186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.824186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.824186 (E_RNA) where: Base-Base interactions energy: -627.257 where: short stacking energy: -279.797 Base-Backbone interact. energy: -0.223 local terms energy: -316.344441 where: bonds (distance) C4'-P energy: -61.609 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -60.499 flat angles P-C4'-P energy: -49.973 tors. eta vs tors. theta energy: -77.836 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: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -851.001858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.001858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.001858 (E_RNA) where: Base-Base interactions energy: -545.610 where: short stacking energy: -251.040 Base-Backbone interact. energy: -1.087 local terms energy: -304.305430 where: bonds (distance) C4'-P energy: -63.339 bonds (distance) P-C4' energy: -59.280 flat angles C4'-P-C4' energy: -65.130 flat angles P-C4'-P energy: -49.209 tors. eta vs tors. theta energy: -67.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -813.848345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.848345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.848345 (E_RNA) where: Base-Base interactions energy: -542.324 where: short stacking energy: -243.672 Base-Backbone interact. energy: 5.365 local terms energy: -276.889839 where: bonds (distance) C4'-P energy: -53.118 bonds (distance) P-C4' energy: -64.288 flat angles C4'-P-C4' energy: -50.593 flat angles P-C4'-P energy: -39.098 tors. eta vs tors. theta energy: -69.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -776.393823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.393823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.393823 (E_RNA) where: Base-Base interactions energy: -516.796 where: short stacking energy: -213.620 Base-Backbone interact. energy: 0.865 local terms energy: -260.463076 where: bonds (distance) C4'-P energy: -52.443 bonds (distance) P-C4' energy: -49.864 flat angles C4'-P-C4' energy: -61.103 flat angles P-C4'-P energy: -38.973 tors. eta vs tors. theta energy: -58.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -719.157925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.157925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.157925 (E_RNA) where: Base-Base interactions energy: -445.504 where: short stacking energy: -196.819 Base-Backbone interact. energy: -2.311 local terms energy: -271.343740 where: bonds (distance) C4'-P energy: -49.612 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -57.111 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -61.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -414.814543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.814543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.814543 (E_RNA) where: Base-Base interactions energy: -204.197 where: short stacking energy: -118.281 Base-Backbone interact. energy: -1.352 local terms energy: -209.265074 where: bonds (distance) C4'-P energy: -61.970 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -52.705 flat angles P-C4'-P energy: -24.069 tors. eta vs tors. theta energy: -9.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -307.941018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.941018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.941018 (E_RNA) where: Base-Base interactions energy: -120.717 where: short stacking energy: -101.513 Base-Backbone interact. energy: -0.851 local terms energy: -186.373075 where: bonds (distance) C4'-P energy: -52.376 bonds (distance) P-C4' energy: -50.295 flat angles C4'-P-C4' energy: -43.341 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -2.036 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: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -275.533747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.533747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.533747 (E_RNA) where: Base-Base interactions energy: -103.094 where: short stacking energy: -85.103 Base-Backbone interact. energy: -1.228 local terms energy: -171.211530 where: bonds (distance) C4'-P energy: -38.659 bonds (distance) P-C4' energy: -60.908 flat angles C4'-P-C4' energy: -47.830 flat angles P-C4'-P energy: -32.059 tors. eta vs tors. theta energy: 8.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1020.593835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.593835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.593835 (E_RNA) where: Base-Base interactions energy: -678.742 where: short stacking energy: -306.185 Base-Backbone interact. energy: -1.456 local terms energy: -340.395550 where: bonds (distance) C4'-P energy: -66.946 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -67.475 flat angles P-C4'-P energy: -49.207 tors. eta vs tors. theta energy: -89.045 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: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1010.368752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.368752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.368752 (E_RNA) where: Base-Base interactions energy: -691.077 where: short stacking energy: -295.506 Base-Backbone interact. energy: 0.680 local terms energy: -319.971787 where: bonds (distance) C4'-P energy: -63.336 bonds (distance) P-C4' energy: -61.366 flat angles C4'-P-C4' energy: -71.892 flat angles P-C4'-P energy: -49.911 tors. eta vs tors. theta energy: -73.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -973.969386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.969386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.969386 (E_RNA) where: Base-Base interactions energy: -636.370 where: short stacking energy: -304.950 Base-Backbone interact. energy: -1.819 local terms energy: -335.780573 where: bonds (distance) C4'-P energy: -57.414 bonds (distance) P-C4' energy: -66.318 flat angles C4'-P-C4' energy: -66.573 flat angles P-C4'-P energy: -48.145 tors. eta vs tors. theta energy: -97.331 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: 1 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -861.958029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.958029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.958029 (E_RNA) where: Base-Base interactions energy: -549.971 where: short stacking energy: -252.062 Base-Backbone interact. energy: -3.041 local terms energy: -308.945434 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -63.709 flat angles C4'-P-C4' energy: -64.177 flat angles P-C4'-P energy: -47.471 tors. eta vs tors. theta energy: -73.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -790.190394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.190394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.190394 (E_RNA) where: Base-Base interactions energy: -521.540 where: short stacking energy: -244.007 Base-Backbone interact. energy: -1.492 local terms energy: -267.158200 where: bonds (distance) C4'-P energy: -58.371 bonds (distance) P-C4' energy: -54.247 flat angles C4'-P-C4' energy: -55.616 flat angles P-C4'-P energy: -33.911 tors. eta vs tors. theta energy: -65.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -796.061034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.061034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.061034 (E_RNA) where: Base-Base interactions energy: -530.644 where: short stacking energy: -227.739 Base-Backbone interact. energy: 1.557 local terms energy: -266.974557 where: bonds (distance) C4'-P energy: -55.378 bonds (distance) P-C4' energy: -55.902 flat angles C4'-P-C4' energy: -64.400 flat angles P-C4'-P energy: -37.433 tors. eta vs tors. theta energy: -53.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -732.548908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.548908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.548908 (E_RNA) where: Base-Base interactions energy: -473.862 where: short stacking energy: -205.533 Base-Backbone interact. energy: 0.625 local terms energy: -259.311521 where: bonds (distance) C4'-P energy: -45.872 bonds (distance) P-C4' energy: -49.508 flat angles C4'-P-C4' energy: -66.365 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: -61.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -422.172990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.172990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.172990 (E_RNA) where: Base-Base interactions energy: -213.255 where: short stacking energy: -122.117 Base-Backbone interact. energy: -0.852 local terms energy: -208.065398 where: bonds (distance) C4'-P energy: -47.555 bonds (distance) P-C4' energy: -65.607 flat angles C4'-P-C4' energy: -55.585 flat angles P-C4'-P energy: -33.828 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -286.015008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.015008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.015008 (E_RNA) where: Base-Base interactions energy: -108.581 where: short stacking energy: -97.358 Base-Backbone interact. energy: -0.398 local terms energy: -177.035439 where: bonds (distance) C4'-P energy: -43.516 bonds (distance) P-C4' energy: -46.836 flat angles C4'-P-C4' energy: -51.535 flat angles P-C4'-P energy: -31.916 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -296.679665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.679665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.679665 (E_RNA) where: Base-Base interactions energy: -133.092 where: short stacking energy: -85.179 Base-Backbone interact. energy: 0.478 local terms energy: -164.066027 where: bonds (distance) C4'-P energy: -51.887 bonds (distance) P-C4' energy: -56.780 flat angles C4'-P-C4' energy: -44.610 flat angles P-C4'-P energy: -23.536 tors. eta vs tors. theta energy: 12.747 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: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1011.009353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.009353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.009353 (E_RNA) where: Base-Base interactions energy: -678.846 where: short stacking energy: -309.374 Base-Backbone interact. energy: 0.679 local terms energy: -332.842996 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -62.938 flat angles C4'-P-C4' energy: -72.393 flat angles P-C4'-P energy: -49.084 tors. eta vs tors. theta energy: -82.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -997.152856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.152856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.152856 (E_RNA) where: Base-Base interactions energy: -670.503 where: short stacking energy: -298.009 Base-Backbone interact. energy: -1.688 local terms energy: -324.962732 where: bonds (distance) C4'-P energy: -68.056 bonds (distance) P-C4' energy: -65.680 flat angles C4'-P-C4' energy: -66.551 flat angles P-C4'-P energy: -51.284 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: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -937.508017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.508017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.508017 (E_RNA) where: Base-Base interactions energy: -616.151 where: short stacking energy: -283.568 Base-Backbone interact. energy: -1.539 local terms energy: -319.818156 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -64.277 flat angles C4'-P-C4' energy: -73.221 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -80.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -881.759809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.759809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.759809 (E_RNA) where: Base-Base interactions energy: -586.543 where: short stacking energy: -263.483 Base-Backbone interact. energy: -1.240 local terms energy: -293.977455 where: bonds (distance) C4'-P energy: -57.909 bonds (distance) P-C4' energy: -57.219 flat angles C4'-P-C4' energy: -61.486 flat angles P-C4'-P energy: -44.142 tors. eta vs tors. theta energy: -73.222 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: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -801.634292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.634292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.634292 (E_RNA) where: Base-Base interactions energy: -528.458 where: short stacking energy: -202.979 Base-Backbone interact. energy: -0.444 local terms energy: -272.732220 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -68.048 flat angles P-C4'-P energy: -43.344 tors. eta vs tors. theta energy: -40.344 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: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -744.831750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.831750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.831750 (E_RNA) where: Base-Base interactions energy: -471.579 where: short stacking energy: -212.719 Base-Backbone interact. energy: -2.344 local terms energy: -270.909489 where: bonds (distance) C4'-P energy: -57.334 bonds (distance) P-C4' energy: -52.400 flat angles C4'-P-C4' energy: -68.742 flat angles P-C4'-P energy: -40.514 tors. eta vs tors. theta energy: -51.920 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: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -703.974998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.974998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.974998 (E_RNA) where: Base-Base interactions energy: -452.830 where: short stacking energy: -213.934 Base-Backbone interact. energy: -1.784 local terms energy: -249.361644 where: bonds (distance) C4'-P energy: -57.341 bonds (distance) P-C4' energy: -53.941 flat angles C4'-P-C4' energy: -48.832 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: -47.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -422.360282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.360282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.360282 (E_RNA) where: Base-Base interactions energy: -227.822 where: short stacking energy: -121.282 Base-Backbone interact. energy: 1.530 local terms energy: -196.068033 where: bonds (distance) C4'-P energy: -38.414 bonds (distance) P-C4' energy: -64.891 flat angles C4'-P-C4' energy: -43.536 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -316.902764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.902764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.902764 (E_RNA) where: Base-Base interactions energy: -110.908 where: short stacking energy: -90.149 Base-Backbone interact. energy: -1.131 local terms energy: -204.863369 where: bonds (distance) C4'-P energy: -55.098 bonds (distance) P-C4' energy: -42.650 flat angles C4'-P-C4' energy: -61.519 flat angles P-C4'-P energy: -51.422 tors. eta vs tors. theta energy: 5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -258.525401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.525401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.525401 (E_RNA) where: Base-Base interactions energy: -79.194 where: short stacking energy: -66.583 Base-Backbone interact. energy: 0.849 local terms energy: -180.180435 where: bonds (distance) C4'-P energy: -50.991 bonds (distance) P-C4' energy: -61.037 flat angles C4'-P-C4' energy: -46.627 flat angles P-C4'-P energy: -28.861 tors. eta vs tors. theta energy: 7.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1010.815138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.815138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.815138 (E_RNA) where: Base-Base interactions energy: -673.943 where: short stacking energy: -299.528 Base-Backbone interact. energy: -1.995 local terms energy: -334.877430 where: bonds (distance) C4'-P energy: -67.484 bonds (distance) P-C4' energy: -76.538 flat angles C4'-P-C4' energy: -70.047 flat angles P-C4'-P energy: -46.239 tors. eta vs tors. theta energy: -74.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -988.565603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.565603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.565603 (E_RNA) where: Base-Base interactions energy: -643.742 where: short stacking energy: -297.488 Base-Backbone interact. energy: -1.896 local terms energy: -342.928326 where: bonds (distance) C4'-P energy: -74.182 bonds (distance) P-C4' energy: -65.937 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -51.519 tors. eta vs tors. theta energy: -82.437 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: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -934.831877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.831877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.831877 (E_RNA) where: Base-Base interactions energy: -621.276 where: short stacking energy: -275.818 Base-Backbone interact. energy: -0.886 local terms energy: -312.670246 where: bonds (distance) C4'-P energy: -50.577 bonds (distance) P-C4' energy: -55.322 flat angles C4'-P-C4' energy: -72.145 flat angles P-C4'-P energy: -47.217 tors. eta vs tors. theta energy: -87.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -918.722847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.722847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.722847 (E_RNA) where: Base-Base interactions energy: -607.391 where: short stacking energy: -285.918 Base-Backbone interact. energy: -0.787 local terms energy: -310.544846 where: bonds (distance) C4'-P energy: -60.802 bonds (distance) P-C4' energy: -65.303 flat angles C4'-P-C4' energy: -66.744 flat angles P-C4'-P energy: -26.537 tors. eta vs tors. theta energy: -91.159 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: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -811.908056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.908056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.908056 (E_RNA) where: Base-Base interactions energy: -533.043 where: short stacking energy: -226.553 Base-Backbone interact. energy: -0.142 local terms energy: -278.722941 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -51.660 flat angles C4'-P-C4' energy: -66.167 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -62.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -756.605628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.605628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.605628 (E_RNA) where: Base-Base interactions energy: -488.044 where: short stacking energy: -213.109 Base-Backbone interact. energy: 0.839 local terms energy: -269.401103 where: bonds (distance) C4'-P energy: -61.121 bonds (distance) P-C4' energy: -59.098 flat angles C4'-P-C4' energy: -58.474 flat angles P-C4'-P energy: -42.613 tors. eta vs tors. theta energy: -48.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -718.651197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.651197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.651197 (E_RNA) where: Base-Base interactions energy: -443.345 where: short stacking energy: -216.248 Base-Backbone interact. energy: -1.335 local terms energy: -273.970624 where: bonds (distance) C4'-P energy: -56.997 bonds (distance) P-C4' energy: -56.154 flat angles C4'-P-C4' energy: -66.545 flat angles P-C4'-P energy: -41.128 tors. eta vs tors. theta energy: -53.147 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: 303 Temperature: 1.250000 Total energy: -472.404303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.404303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.404303 (E_RNA) where: Base-Base interactions energy: -246.311 where: short stacking energy: -109.487 Base-Backbone interact. energy: -1.684 local terms energy: -224.409379 where: bonds (distance) C4'-P energy: -52.211 bonds (distance) P-C4' energy: -64.937 flat angles C4'-P-C4' energy: -57.439 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: -3.838 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: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -311.831505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.831505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.831505 (E_RNA) where: Base-Base interactions energy: -137.183 where: short stacking energy: -105.089 Base-Backbone interact. energy: -1.314 local terms energy: -173.335222 where: bonds (distance) C4'-P energy: -57.048 bonds (distance) P-C4' energy: -48.603 flat angles C4'-P-C4' energy: -56.111 flat angles P-C4'-P energy: -14.628 tors. eta vs tors. theta energy: 3.056 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: 10, replica: 8 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -270.984454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.984454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.984454 (E_RNA) where: Base-Base interactions energy: -99.596 where: short stacking energy: -88.954 Base-Backbone interact. energy: -0.576 local terms energy: -170.811969 where: bonds (distance) C4'-P energy: -47.025 bonds (distance) P-C4' energy: -56.837 flat angles C4'-P-C4' energy: -45.338 flat angles P-C4'-P energy: -33.870 tors. eta vs tors. theta energy: 12.257 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: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1031.623969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.623969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.623969 (E_RNA) where: Base-Base interactions energy: -701.169 where: short stacking energy: -313.999 Base-Backbone interact. energy: -1.776 local terms energy: -328.678835 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -62.564 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -84.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -992.816967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.816967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.816967 (E_RNA) where: Base-Base interactions energy: -672.612 where: short stacking energy: -307.150 Base-Backbone interact. energy: -1.639 local terms energy: -318.566172 where: bonds (distance) C4'-P energy: -63.454 bonds (distance) P-C4' energy: -66.360 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -39.994 tors. eta vs tors. theta energy: -79.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -929.883006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.883006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.883006 (E_RNA) where: Base-Base interactions energy: -614.147 where: short stacking energy: -285.880 Base-Backbone interact. energy: -1.430 local terms energy: -314.305562 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -71.691 flat angles P-C4'-P energy: -44.237 tors. eta vs tors. theta energy: -77.779 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: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -906.636842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.636842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.636842 (E_RNA) where: Base-Base interactions energy: -606.875 where: short stacking energy: -282.282 Base-Backbone interact. energy: 0.664 local terms energy: -300.426102 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -64.481 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -41.491 tors. eta vs tors. theta energy: -71.799 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: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -822.655753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.655753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.655753 (E_RNA) where: Base-Base interactions energy: -525.330 where: short stacking energy: -223.390 Base-Backbone interact. energy: -1.263 local terms energy: -296.062524 where: bonds (distance) C4'-P energy: -66.596 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -64.260 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: -52.727 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: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -761.304094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.304094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.304094 (E_RNA) where: Base-Base interactions energy: -504.331 where: short stacking energy: -228.804 Base-Backbone interact. energy: 4.731 local terms energy: -261.703106 where: bonds (distance) C4'-P energy: -50.061 bonds (distance) P-C4' energy: -51.327 flat angles C4'-P-C4' energy: -60.243 flat angles P-C4'-P energy: -40.996 tors. eta vs tors. theta energy: -59.077 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: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -705.865184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.865184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.865184 (E_RNA) where: Base-Base interactions energy: -472.970 where: short stacking energy: -216.637 Base-Backbone interact. energy: -0.452 local terms energy: -232.443085 where: bonds (distance) C4'-P energy: -46.292 bonds (distance) P-C4' energy: -51.760 flat angles C4'-P-C4' energy: -50.893 flat angles P-C4'-P energy: -25.931 tors. eta vs tors. theta energy: -57.566 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: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -474.900758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.900758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.900758 (E_RNA) where: Base-Base interactions energy: -261.801 where: short stacking energy: -155.109 Base-Backbone interact. energy: 1.056 local terms energy: -214.156410 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -50.112 flat angles C4'-P-C4' energy: -53.755 flat angles P-C4'-P energy: -38.942 tors. eta vs tors. theta energy: -15.677 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: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -274.923530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.923530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.923530 (E_RNA) where: Base-Base interactions energy: -82.174 where: short stacking energy: -76.538 Base-Backbone interact. energy: 1.089 local terms energy: -193.838030 where: bonds (distance) C4'-P energy: -64.831 bonds (distance) P-C4' energy: -49.476 flat angles C4'-P-C4' energy: -53.369 flat angles P-C4'-P energy: -35.539 tors. eta vs tors. theta energy: 9.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -272.327547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.327547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.327547 (E_RNA) where: Base-Base interactions energy: -88.436 where: short stacking energy: -74.494 Base-Backbone interact. energy: 1.768 local terms energy: -185.659304 where: bonds (distance) C4'-P energy: -52.566 bonds (distance) P-C4' energy: -43.567 flat angles C4'-P-C4' energy: -58.620 flat angles P-C4'-P energy: -37.911 tors. eta vs tors. theta energy: 7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1049.358815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.358815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.358815 (E_RNA) where: Base-Base interactions energy: -706.814 where: short stacking energy: -325.485 Base-Backbone interact. energy: -0.185 local terms energy: -342.359763 where: bonds (distance) C4'-P energy: -68.066 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -74.128 flat angles P-C4'-P energy: -41.164 tors. eta vs tors. theta energy: -91.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1004.300197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.300197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.300197 (E_RNA) where: Base-Base interactions energy: -691.961 where: short stacking energy: -304.549 Base-Backbone interact. energy: 1.533 local terms energy: -313.871481 where: bonds (distance) C4'-P energy: -62.958 bonds (distance) P-C4' energy: -63.604 flat angles C4'-P-C4' energy: -69.708 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -79.017 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: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -936.304856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.304856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.304856 (E_RNA) where: Base-Base interactions energy: -629.559 where: short stacking energy: -287.186 Base-Backbone interact. energy: -0.793 local terms energy: -305.953515 where: bonds (distance) C4'-P energy: -49.910 bonds (distance) P-C4' energy: -63.261 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -39.460 tors. eta vs tors. theta energy: -87.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -900.455310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.455310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.455310 (E_RNA) where: Base-Base interactions energy: -591.172 where: short stacking energy: -276.395 Base-Backbone interact. energy: -1.608 local terms energy: -307.674990 where: bonds (distance) C4'-P energy: -57.550 bonds (distance) P-C4' energy: -56.179 flat angles C4'-P-C4' energy: -72.730 flat angles P-C4'-P energy: -34.926 tors. eta vs tors. theta energy: -86.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -840.829850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.829850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.829850 (E_RNA) where: Base-Base interactions energy: -535.742 where: short stacking energy: -256.065 Base-Backbone interact. energy: -0.392 local terms energy: -304.696561 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -60.737 flat angles C4'-P-C4' energy: -68.403 flat angles P-C4'-P energy: -38.679 tors. eta vs tors. theta energy: -73.040 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: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -768.884462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.884462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.884462 (E_RNA) where: Base-Base interactions energy: -491.446 where: short stacking energy: -241.904 Base-Backbone interact. energy: 0.433 local terms energy: -277.871310 where: bonds (distance) C4'-P energy: -57.712 bonds (distance) P-C4' energy: -50.075 flat angles C4'-P-C4' energy: -64.533 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -65.869 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: 305 Temperature: 1.200000 Total energy: -732.752042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.752042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.752042 (E_RNA) where: Base-Base interactions energy: -484.773 where: short stacking energy: -231.655 Base-Backbone interact. energy: -1.865 local terms energy: -246.114176 where: bonds (distance) C4'-P energy: -34.776 bonds (distance) P-C4' energy: -59.941 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -35.961 tors. eta vs tors. theta energy: -50.621 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: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -409.937590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.937590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.937590 (E_RNA) where: Base-Base interactions energy: -212.986 where: short stacking energy: -108.224 Base-Backbone interact. energy: -2.586 local terms energy: -194.365370 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -53.880 flat angles C4'-P-C4' energy: -47.075 flat angles P-C4'-P energy: -35.060 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -357.501643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.501643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.501643 (E_RNA) where: Base-Base interactions energy: -182.073 where: short stacking energy: -135.428 Base-Backbone interact. energy: 1.940 local terms energy: -177.368638 where: bonds (distance) C4'-P energy: -43.559 bonds (distance) P-C4' energy: -36.972 flat angles C4'-P-C4' energy: -46.713 flat angles P-C4'-P energy: -34.680 tors. eta vs tors. theta energy: -15.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -266.812821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.812821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.812821 (E_RNA) where: Base-Base interactions energy: -79.333 where: short stacking energy: -68.603 Base-Backbone interact. energy: 0.610 local terms energy: -188.089920 where: bonds (distance) C4'-P energy: -54.142 bonds (distance) P-C4' energy: -68.996 flat angles C4'-P-C4' energy: -49.487 flat angles P-C4'-P energy: -26.164 tors. eta vs tors. theta energy: 10.700 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: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1064.909273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.909273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.909273 (E_RNA) where: Base-Base interactions energy: -737.246 where: short stacking energy: -337.522 Base-Backbone interact. energy: 2.602 local terms energy: -330.264856 where: bonds (distance) C4'-P energy: -59.890 bonds (distance) P-C4' energy: -59.060 flat angles C4'-P-C4' energy: -76.570 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -91.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1004.096105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.096105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.096105 (E_RNA) where: Base-Base interactions energy: -689.004 where: short stacking energy: -306.572 Base-Backbone interact. energy: -3.189 local terms energy: -311.902776 where: bonds (distance) C4'-P energy: -57.891 bonds (distance) P-C4' energy: -58.579 flat angles C4'-P-C4' energy: -68.672 flat angles P-C4'-P energy: -44.181 tors. eta vs tors. theta energy: -82.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -963.023322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.023322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.023322 (E_RNA) where: Base-Base interactions energy: -644.525 where: short stacking energy: -299.835 Base-Backbone interact. energy: -0.725 local terms energy: -317.773318 where: bonds (distance) C4'-P energy: -57.566 bonds (distance) P-C4' energy: -59.042 flat angles C4'-P-C4' energy: -69.919 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -81.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -903.576275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.576275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.576275 (E_RNA) where: Base-Base interactions energy: -608.712 where: short stacking energy: -269.605 Base-Backbone interact. energy: -1.166 local terms energy: -293.698599 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -54.763 flat angles C4'-P-C4' energy: -63.945 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -69.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -833.332622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.332622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.332622 (E_RNA) where: Base-Base interactions energy: -538.291 where: short stacking energy: -255.904 Base-Backbone interact. energy: -0.490 local terms energy: -294.551810 where: bonds (distance) C4'-P energy: -60.440 bonds (distance) P-C4' energy: -49.801 flat angles C4'-P-C4' energy: -61.382 flat angles P-C4'-P energy: -50.466 tors. eta vs tors. theta energy: -72.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -773.056809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.056809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.056809 (E_RNA) where: Base-Base interactions energy: -484.555 where: short stacking energy: -225.150 Base-Backbone interact. energy: -1.074 local terms energy: -287.427704 where: bonds (distance) C4'-P energy: -53.050 bonds (distance) P-C4' energy: -65.453 flat angles C4'-P-C4' energy: -65.826 flat angles P-C4'-P energy: -40.402 tors. eta vs tors. theta energy: -62.696 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: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -743.911323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.911323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.911323 (E_RNA) where: Base-Base interactions energy: -500.201 where: short stacking energy: -223.538 Base-Backbone interact. energy: -2.007 local terms energy: -241.703437 where: bonds (distance) C4'-P energy: -37.577 bonds (distance) P-C4' energy: -44.438 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -33.904 tors. eta vs tors. theta energy: -56.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -379.239994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.239994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.239994 (E_RNA) where: Base-Base interactions energy: -189.967 where: short stacking energy: -91.841 Base-Backbone interact. energy: -1.181 local terms energy: -188.092335 where: bonds (distance) C4'-P energy: -49.490 bonds (distance) P-C4' energy: -55.136 flat angles C4'-P-C4' energy: -46.677 flat angles P-C4'-P energy: -35.548 tors. eta vs tors. theta energy: -1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -358.204374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.204374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.204374 (E_RNA) where: Base-Base interactions energy: -152.907 where: short stacking energy: -104.157 Base-Backbone interact. energy: -0.170 local terms energy: -205.127850 where: bonds (distance) C4'-P energy: -59.284 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -50.840 flat angles P-C4'-P energy: -22.225 tors. eta vs tors. theta energy: -14.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -286.300355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.300355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.300355 (E_RNA) where: Base-Base interactions energy: -114.499 where: short stacking energy: -89.935 Base-Backbone interact. energy: 7.191 local terms energy: -178.992636 where: bonds (distance) C4'-P energy: -52.529 bonds (distance) P-C4' energy: -51.555 flat angles C4'-P-C4' energy: -39.253 flat angles P-C4'-P energy: -29.073 tors. eta vs tors. theta energy: -6.582 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: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1041.731682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.731682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.731682 (E_RNA) where: Base-Base interactions energy: -717.183 where: short stacking energy: -324.631 Base-Backbone interact. energy: -2.523 local terms energy: -322.025989 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -69.565 flat angles C4'-P-C4' energy: -67.942 flat angles P-C4'-P energy: -38.684 tors. eta vs tors. theta energy: -84.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -967.083766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.083766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.083766 (E_RNA) where: Base-Base interactions energy: -645.312 where: short stacking energy: -281.584 Base-Backbone interact. energy: 0.661 local terms energy: -322.432411 where: bonds (distance) C4'-P energy: -58.502 bonds (distance) P-C4' energy: -59.185 flat angles C4'-P-C4' energy: -72.606 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -77.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -976.267685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.267685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.267685 (E_RNA) where: Base-Base interactions energy: -654.242 where: short stacking energy: -280.316 Base-Backbone interact. energy: -1.014 local terms energy: -321.011378 where: bonds (distance) C4'-P energy: -61.279 bonds (distance) P-C4' energy: -70.543 flat angles C4'-P-C4' energy: -70.909 flat angles P-C4'-P energy: -41.586 tors. eta vs tors. theta energy: -76.694 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: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -918.384137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.384137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.384137 (E_RNA) where: Base-Base interactions energy: -621.703 where: short stacking energy: -302.144 Base-Backbone interact. energy: 0.249 local terms energy: -296.929934 where: bonds (distance) C4'-P energy: -50.420 bonds (distance) P-C4' energy: -52.779 flat angles C4'-P-C4' energy: -75.443 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -78.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -817.552751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.552751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.552751 (E_RNA) where: Base-Base interactions energy: -525.270 where: short stacking energy: -249.433 Base-Backbone interact. energy: -0.685 local terms energy: -291.597441 where: bonds (distance) C4'-P energy: -61.811 bonds (distance) P-C4' energy: -61.390 flat angles C4'-P-C4' energy: -61.779 flat angles P-C4'-P energy: -37.045 tors. eta vs tors. theta energy: -69.573 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: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -757.608640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.608640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.608640 (E_RNA) where: Base-Base interactions energy: -487.833 where: short stacking energy: -222.876 Base-Backbone interact. energy: -1.891 local terms energy: -267.884611 where: bonds (distance) C4'-P energy: -52.211 bonds (distance) P-C4' energy: -54.242 flat angles C4'-P-C4' energy: -65.432 flat angles P-C4'-P energy: -41.632 tors. eta vs tors. theta energy: -54.367 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: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -724.809612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.809612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.809612 (E_RNA) where: Base-Base interactions energy: -471.757 where: short stacking energy: -230.612 Base-Backbone interact. energy: -0.767 local terms energy: -252.285596 where: bonds (distance) C4'-P energy: -51.328 bonds (distance) P-C4' energy: -64.200 flat angles C4'-P-C4' energy: -51.238 flat angles P-C4'-P energy: -29.452 tors. eta vs tors. theta energy: -56.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -402.724200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.724200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.724200 (E_RNA) where: Base-Base interactions energy: -196.325 where: short stacking energy: -97.992 Base-Backbone interact. energy: -0.697 local terms energy: -205.701831 where: bonds (distance) C4'-P energy: -54.325 bonds (distance) P-C4' energy: -58.170 flat angles C4'-P-C4' energy: -48.536 flat angles P-C4'-P energy: -28.513 tors. eta vs tors. theta energy: -16.157 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: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -391.013864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.013864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.013864 (E_RNA) where: Base-Base interactions energy: -192.340 where: short stacking energy: -124.072 Base-Backbone interact. energy: 0.045 local terms energy: -198.719253 where: bonds (distance) C4'-P energy: -58.729 bonds (distance) P-C4' energy: -51.373 flat angles C4'-P-C4' energy: -47.090 flat angles P-C4'-P energy: -34.437 tors. eta vs tors. theta energy: -7.091 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: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -301.172284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.172284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.172284 (E_RNA) where: Base-Base interactions energy: -111.018 where: short stacking energy: -84.471 Base-Backbone interact. energy: 1.667 local terms energy: -191.821674 where: bonds (distance) C4'-P energy: -50.756 bonds (distance) P-C4' energy: -55.393 flat angles C4'-P-C4' energy: -44.308 flat angles P-C4'-P energy: -41.337 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: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1033.180982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.180982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.180982 (E_RNA) where: Base-Base interactions energy: -706.106 where: short stacking energy: -324.629 Base-Backbone interact. energy: -2.618 local terms energy: -324.456471 where: bonds (distance) C4'-P energy: -63.877 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -71.748 flat angles P-C4'-P energy: -38.725 tors. eta vs tors. theta energy: -83.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -982.747761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.747761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.747761 (E_RNA) where: Base-Base interactions energy: -662.196 where: short stacking energy: -306.825 Base-Backbone interact. energy: -1.804 local terms energy: -318.748122 where: bonds (distance) C4'-P energy: -61.158 bonds (distance) P-C4' energy: -62.893 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -40.909 tors. eta vs tors. theta energy: -81.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -999.382728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.382728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.382728 (E_RNA) where: Base-Base interactions energy: -659.452 where: short stacking energy: -302.153 Base-Backbone interact. energy: -1.973 local terms energy: -337.958092 where: bonds (distance) C4'-P energy: -71.703 bonds (distance) P-C4' energy: -64.211 flat angles C4'-P-C4' energy: -72.739 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -86.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -918.752927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.752927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.752927 (E_RNA) where: Base-Base interactions energy: -594.139 where: short stacking energy: -282.276 Base-Backbone interact. energy: 2.527 local terms energy: -327.140926 where: bonds (distance) C4'-P energy: -63.496 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -72.107 flat angles P-C4'-P energy: -40.527 tors. eta vs tors. theta energy: -89.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -797.146482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.146482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.146482 (E_RNA) where: Base-Base interactions energy: -499.344 where: short stacking energy: -251.455 Base-Backbone interact. energy: 1.682 local terms energy: -299.484680 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -60.028 flat angles C4'-P-C4' energy: -62.029 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -69.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -774.418081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.418081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.418081 (E_RNA) where: Base-Base interactions energy: -467.995 where: short stacking energy: -233.050 Base-Backbone interact. energy: -2.258 local terms energy: -304.165567 where: bonds (distance) C4'-P energy: -56.959 bonds (distance) P-C4' energy: -65.979 flat angles C4'-P-C4' energy: -67.923 flat angles P-C4'-P energy: -41.339 tors. eta vs tors. theta energy: -71.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -709.727661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.727661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.727661 (E_RNA) where: Base-Base interactions energy: -467.976 where: short stacking energy: -236.899 Base-Backbone interact. energy: 2.597 local terms energy: -244.348888 where: bonds (distance) C4'-P energy: -41.609 bonds (distance) P-C4' energy: -56.497 flat angles C4'-P-C4' energy: -54.795 flat angles P-C4'-P energy: -37.575 tors. eta vs tors. theta energy: -53.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -413.860987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.860987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.860987 (E_RNA) where: Base-Base interactions energy: -196.923 where: short stacking energy: -114.452 Base-Backbone interact. energy: -0.721 local terms energy: -216.216331 where: bonds (distance) C4'-P energy: -60.884 bonds (distance) P-C4' energy: -49.164 flat angles C4'-P-C4' energy: -49.970 flat angles P-C4'-P energy: -40.360 tors. eta vs tors. theta energy: -15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -408.595998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.595998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.595998 (E_RNA) where: Base-Base interactions energy: -216.839 where: short stacking energy: -117.284 Base-Backbone interact. energy: -2.728 local terms energy: -189.028789 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -61.309 flat angles C4'-P-C4' energy: -45.482 flat angles P-C4'-P energy: -26.472 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -272.259301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.259301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.259301 (E_RNA) where: Base-Base interactions energy: -108.554 where: short stacking energy: -80.938 Base-Backbone interact. energy: -0.254 local terms energy: -163.451049 where: bonds (distance) C4'-P energy: -41.404 bonds (distance) P-C4' energy: -55.508 flat angles C4'-P-C4' energy: -49.566 flat angles P-C4'-P energy: -21.188 tors. eta vs tors. theta energy: 4.214 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: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1026.961422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.961422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.961422 (E_RNA) where: Base-Base interactions energy: -702.099 where: short stacking energy: -314.299 Base-Backbone interact. energy: -0.765 local terms energy: -324.097222 where: bonds (distance) C4'-P energy: -56.538 bonds (distance) P-C4' energy: -55.582 flat angles C4'-P-C4' energy: -74.808 flat angles P-C4'-P energy: -50.585 tors. eta vs tors. theta energy: -86.584 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -987.907351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.907351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.907351 (E_RNA) where: Base-Base interactions energy: -659.369 where: short stacking energy: -290.826 Base-Backbone interact. energy: -1.155 local terms energy: -327.382829 where: bonds (distance) C4'-P energy: -66.685 bonds (distance) P-C4' energy: -75.396 flat angles C4'-P-C4' energy: -58.834 flat angles P-C4'-P energy: -49.526 tors. eta vs tors. theta energy: -76.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -969.351812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.351812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.351812 (E_RNA) where: Base-Base interactions energy: -667.484 where: short stacking energy: -299.165 Base-Backbone interact. energy: -0.325 local terms energy: -301.543053 where: bonds (distance) C4'-P energy: -49.232 bonds (distance) P-C4' energy: -56.118 flat angles C4'-P-C4' energy: -62.387 flat angles P-C4'-P energy: -50.246 tors. eta vs tors. theta energy: -83.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -918.646919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.646919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.646919 (E_RNA) where: Base-Base interactions energy: -608.511 where: short stacking energy: -289.164 Base-Backbone interact. energy: -1.338 local terms energy: -308.797622 where: bonds (distance) C4'-P energy: -49.306 bonds (distance) P-C4' energy: -71.919 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -83.343 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: 5, replica: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -773.993210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.993210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.993210 (E_RNA) where: Base-Base interactions energy: -488.203 where: short stacking energy: -231.441 Base-Backbone interact. energy: -0.022 local terms energy: -285.768633 where: bonds (distance) C4'-P energy: -56.104 bonds (distance) P-C4' energy: -62.714 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -63.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -768.436748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.436748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.436748 (E_RNA) where: Base-Base interactions energy: -482.208 where: short stacking energy: -238.446 Base-Backbone interact. energy: -0.700 local terms energy: -285.528263 where: bonds (distance) C4'-P energy: -48.607 bonds (distance) P-C4' energy: -57.035 flat angles C4'-P-C4' energy: -63.035 flat angles P-C4'-P energy: -46.527 tors. eta vs tors. theta energy: -70.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -704.590481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.590481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.590481 (E_RNA) where: Base-Base interactions energy: -440.584 where: short stacking energy: -194.127 Base-Backbone interact. energy: -1.505 local terms energy: -262.501790 where: bonds (distance) C4'-P energy: -61.122 bonds (distance) P-C4' energy: -63.035 flat angles C4'-P-C4' energy: -59.881 flat angles P-C4'-P energy: -31.188 tors. eta vs tors. theta energy: -47.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -462.909431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.909431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.909431 (E_RNA) where: Base-Base interactions energy: -234.020 where: short stacking energy: -137.848 Base-Backbone interact. energy: -0.611 local terms energy: -228.278273 where: bonds (distance) C4'-P energy: -56.913 bonds (distance) P-C4' energy: -66.538 flat angles C4'-P-C4' energy: -58.973 flat angles P-C4'-P energy: -20.363 tors. eta vs tors. theta energy: -25.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -370.588232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.588232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.588232 (E_RNA) where: Base-Base interactions energy: -185.258 where: short stacking energy: -99.221 Base-Backbone interact. energy: 1.960 local terms energy: -187.289671 where: bonds (distance) C4'-P energy: -48.448 bonds (distance) P-C4' energy: -56.307 flat angles C4'-P-C4' energy: -47.711 flat angles P-C4'-P energy: -27.732 tors. eta vs tors. theta energy: -7.092 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: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -275.597681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.597681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.597681 (E_RNA) where: Base-Base interactions energy: -108.829 where: short stacking energy: -79.986 Base-Backbone interact. energy: 2.890 local terms energy: -169.658304 where: bonds (distance) C4'-P energy: -49.955 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -48.947 flat angles P-C4'-P energy: -32.469 tors. eta vs tors. theta energy: 19.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1018.804717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.804717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.804717 (E_RNA) where: Base-Base interactions energy: -689.073 where: short stacking energy: -308.627 Base-Backbone interact. energy: -0.633 local terms energy: -329.098443 where: bonds (distance) C4'-P energy: -72.920 bonds (distance) P-C4' energy: -58.509 flat angles C4'-P-C4' energy: -67.524 flat angles P-C4'-P energy: -43.586 tors. eta vs tors. theta energy: -86.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -971.968286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.968286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.968286 (E_RNA) where: Base-Base interactions energy: -658.396 where: short stacking energy: -297.064 Base-Backbone interact. energy: -1.270 local terms energy: -312.302429 where: bonds (distance) C4'-P energy: -52.432 bonds (distance) P-C4' energy: -63.141 flat angles C4'-P-C4' energy: -70.923 flat angles P-C4'-P energy: -41.492 tors. eta vs tors. theta energy: -84.314 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: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -970.220522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.220522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.220522 (E_RNA) where: Base-Base interactions energy: -634.402 where: short stacking energy: -279.277 Base-Backbone interact. energy: -1.770 local terms energy: -334.048185 where: bonds (distance) C4'-P energy: -67.322 bonds (distance) P-C4' energy: -70.738 flat angles C4'-P-C4' energy: -68.683 flat angles P-C4'-P energy: -45.197 tors. eta vs tors. theta energy: -82.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -906.241536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.241536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.241536 (E_RNA) where: Base-Base interactions energy: -575.509 where: short stacking energy: -263.461 Base-Backbone interact. energy: -0.971 local terms energy: -329.761016 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -65.668 flat angles C4'-P-C4' energy: -68.527 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -86.770 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: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -787.309028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.309028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.309028 (E_RNA) where: Base-Base interactions energy: -505.615 where: short stacking energy: -227.064 Base-Backbone interact. energy: -0.930 local terms energy: -280.764027 where: bonds (distance) C4'-P energy: -52.772 bonds (distance) P-C4' energy: -69.233 flat angles C4'-P-C4' energy: -63.296 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -53.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -738.435680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.435680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.435680 (E_RNA) where: Base-Base interactions energy: -466.956 where: short stacking energy: -218.110 Base-Backbone interact. energy: -1.178 local terms energy: -270.301979 where: bonds (distance) C4'-P energy: -57.214 bonds (distance) P-C4' energy: -68.579 flat angles C4'-P-C4' energy: -56.665 flat angles P-C4'-P energy: -37.771 tors. eta vs tors. theta energy: -50.073 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: 7 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -745.754829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.754829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.754829 (E_RNA) where: Base-Base interactions energy: -483.246 where: short stacking energy: -216.622 Base-Backbone interact. energy: 0.622 local terms energy: -263.131254 where: bonds (distance) C4'-P energy: -51.809 bonds (distance) P-C4' energy: -45.211 flat angles C4'-P-C4' energy: -67.607 flat angles P-C4'-P energy: -33.368 tors. eta vs tors. theta energy: -65.137 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: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -482.969532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.969532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.969532 (E_RNA) where: Base-Base interactions energy: -269.227 where: short stacking energy: -122.056 Base-Backbone interact. energy: -1.967 local terms energy: -211.774981 where: bonds (distance) C4'-P energy: -59.732 bonds (distance) P-C4' energy: -48.083 flat angles C4'-P-C4' energy: -59.890 flat angles P-C4'-P energy: -35.516 tors. eta vs tors. theta energy: -8.553 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: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -317.777698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.777698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.777698 (E_RNA) where: Base-Base interactions energy: -151.471 where: short stacking energy: -102.239 Base-Backbone interact. energy: -1.033 local terms energy: -165.273256 where: bonds (distance) C4'-P energy: -52.732 bonds (distance) P-C4' energy: -54.366 flat angles C4'-P-C4' energy: -40.511 flat angles P-C4'-P energy: -20.194 tors. eta vs tors. theta energy: 2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -319.537703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.537703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.537703 (E_RNA) where: Base-Base interactions energy: -159.715 where: short stacking energy: -94.131 Base-Backbone interact. energy: 2.585 local terms energy: -162.408311 where: bonds (distance) C4'-P energy: -45.079 bonds (distance) P-C4' energy: -45.270 flat angles C4'-P-C4' energy: -39.514 flat angles P-C4'-P energy: -34.541 tors. eta vs tors. theta energy: 1.996 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: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1030.385181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.385181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.385181 (E_RNA) where: Base-Base interactions energy: -699.458 where: short stacking energy: -323.532 Base-Backbone interact. energy: -1.096 local terms energy: -329.830697 where: bonds (distance) C4'-P energy: -71.399 bonds (distance) P-C4' energy: -63.757 flat angles C4'-P-C4' energy: -71.471 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -80.476 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: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -984.010357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.010357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.010357 (E_RNA) where: Base-Base interactions energy: -677.616 where: short stacking energy: -292.969 Base-Backbone interact. energy: -1.367 local terms energy: -305.027034 where: bonds (distance) C4'-P energy: -68.899 bonds (distance) P-C4' energy: -60.905 flat angles C4'-P-C4' energy: -63.346 flat angles P-C4'-P energy: -32.445 tors. eta vs tors. theta energy: -79.433 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: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -968.698917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.698917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.698917 (E_RNA) where: Base-Base interactions energy: -644.800 where: short stacking energy: -289.752 Base-Backbone interact. energy: -0.213 local terms energy: -323.686243 where: bonds (distance) C4'-P energy: -60.294 bonds (distance) P-C4' energy: -66.331 flat angles C4'-P-C4' energy: -65.042 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: -84.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -902.527513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.527513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.527513 (E_RNA) where: Base-Base interactions energy: -596.080 where: short stacking energy: -274.894 Base-Backbone interact. energy: -0.849 local terms energy: -305.598254 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -57.287 flat angles C4'-P-C4' energy: -64.340 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: -88.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -807.070493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.070493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.070493 (E_RNA) where: Base-Base interactions energy: -527.548 where: short stacking energy: -247.237 Base-Backbone interact. energy: 1.937 local terms energy: -281.459781 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -54.004 flat angles C4'-P-C4' energy: -61.253 flat angles P-C4'-P energy: -45.401 tors. eta vs tors. theta energy: -59.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -785.248879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.248879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.248879 (E_RNA) where: Base-Base interactions energy: -511.671 where: short stacking energy: -231.082 Base-Backbone interact. energy: -1.595 local terms energy: -271.982532 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -46.319 flat angles C4'-P-C4' energy: -55.275 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -56.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -708.415037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.415037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.415037 (E_RNA) where: Base-Base interactions energy: -431.282 where: short stacking energy: -214.550 Base-Backbone interact. energy: -1.131 local terms energy: -276.002489 where: bonds (distance) C4'-P energy: -65.358 bonds (distance) P-C4' energy: -59.432 flat angles C4'-P-C4' energy: -63.967 flat angles P-C4'-P energy: -34.294 tors. eta vs tors. theta energy: -52.953 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: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -442.115756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.115756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.115756 (E_RNA) where: Base-Base interactions energy: -240.896 where: short stacking energy: -131.705 Base-Backbone interact. energy: 1.107 local terms energy: -202.326407 where: bonds (distance) C4'-P energy: -58.077 bonds (distance) P-C4' energy: -50.192 flat angles C4'-P-C4' energy: -48.957 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -11.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -297.464380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.464380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.464380 (E_RNA) where: Base-Base interactions energy: -101.008 where: short stacking energy: -67.238 Base-Backbone interact. energy: 3.211 local terms energy: -199.667746 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -57.242 flat angles C4'-P-C4' energy: -50.097 flat angles P-C4'-P energy: -33.827 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -268.735132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.735132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.735132 (E_RNA) where: Base-Base interactions energy: -95.107 where: short stacking energy: -76.645 Base-Backbone interact. energy: 0.085 local terms energy: -173.713822 where: bonds (distance) C4'-P energy: -54.800 bonds (distance) P-C4' energy: -55.059 flat angles C4'-P-C4' energy: -46.291 flat angles P-C4'-P energy: -19.253 tors. eta vs tors. theta energy: 1.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1027.372562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.372562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.372562 (E_RNA) where: Base-Base interactions energy: -695.763 where: short stacking energy: -308.192 Base-Backbone interact. energy: 0.891 local terms energy: -332.500614 where: bonds (distance) C4'-P energy: -59.568 bonds (distance) P-C4' energy: -63.720 flat angles C4'-P-C4' energy: -71.674 flat angles P-C4'-P energy: -49.513 tors. eta vs tors. theta energy: -88.025 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: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1002.564674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.564674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.564674 (E_RNA) where: Base-Base interactions energy: -684.264 where: short stacking energy: -288.007 Base-Backbone interact. energy: -3.702 local terms energy: -314.598700 where: bonds (distance) C4'-P energy: -68.396 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -70.604 flat angles P-C4'-P energy: -37.715 tors. eta vs tors. theta energy: -78.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -950.006854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.006854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.006854 (E_RNA) where: Base-Base interactions energy: -639.987 where: short stacking energy: -285.942 Base-Backbone interact. energy: -1.917 local terms energy: -308.103195 where: bonds (distance) C4'-P energy: -65.167 bonds (distance) P-C4' energy: -52.638 flat angles C4'-P-C4' energy: -69.419 flat angles P-C4'-P energy: -38.748 tors. eta vs tors. theta energy: -82.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -891.075468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.075468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.075468 (E_RNA) where: Base-Base interactions energy: -595.132 where: short stacking energy: -270.443 Base-Backbone interact. energy: 0.511 local terms energy: -296.454481 where: bonds (distance) C4'-P energy: -65.346 bonds (distance) P-C4' energy: -62.910 flat angles C4'-P-C4' energy: -66.546 flat angles P-C4'-P energy: -32.537 tors. eta vs tors. theta energy: -69.116 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: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -808.916244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.916244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.916244 (E_RNA) where: Base-Base interactions energy: -509.583 where: short stacking energy: -252.119 Base-Backbone interact. energy: 1.685 local terms energy: -301.017976 where: bonds (distance) C4'-P energy: -57.154 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -62.737 flat angles P-C4'-P energy: -51.457 tors. eta vs tors. theta energy: -72.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -788.916120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.916120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.916120 (E_RNA) where: Base-Base interactions energy: -514.155 where: short stacking energy: -254.010 Base-Backbone interact. energy: 2.533 local terms energy: -277.294753 where: bonds (distance) C4'-P energy: -49.615 bonds (distance) P-C4' energy: -65.342 flat angles C4'-P-C4' energy: -59.012 flat angles P-C4'-P energy: -43.770 tors. eta vs tors. theta energy: -59.557 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: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -734.116139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.116139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.116139 (E_RNA) where: Base-Base interactions energy: -496.713 where: short stacking energy: -213.308 Base-Backbone interact. energy: 0.048 local terms energy: -237.450924 where: bonds (distance) C4'-P energy: -44.109 bonds (distance) P-C4' energy: -56.236 flat angles C4'-P-C4' energy: -64.020 flat angles P-C4'-P energy: -20.446 tors. eta vs tors. theta energy: -52.640 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: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -429.679373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.679373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.679373 (E_RNA) where: Base-Base interactions energy: -228.832 where: short stacking energy: -110.730 Base-Backbone interact. energy: -1.405 local terms energy: -199.443034 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -49.818 flat angles C4'-P-C4' energy: -52.972 flat angles P-C4'-P energy: -24.565 tors. eta vs tors. theta energy: -10.871 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: 9, replica: 8 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -296.055844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.055844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.055844 (E_RNA) where: Base-Base interactions energy: -102.462 where: short stacking energy: -98.938 Base-Backbone interact. energy: 4.439 local terms energy: -198.032983 where: bonds (distance) C4'-P energy: -46.288 bonds (distance) P-C4' energy: -48.433 flat angles C4'-P-C4' energy: -47.012 flat angles P-C4'-P energy: -42.474 tors. eta vs tors. theta energy: -13.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -259.635510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.635510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.635510 (E_RNA) where: Base-Base interactions energy: -78.803 where: short stacking energy: -75.156 Base-Backbone interact. energy: -3.129 local terms energy: -177.703511 where: bonds (distance) C4'-P energy: -45.261 bonds (distance) P-C4' energy: -44.531 flat angles C4'-P-C4' energy: -57.720 flat angles P-C4'-P energy: -31.413 tors. eta vs tors. theta energy: 1.222 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: 313 Temperature: 0.900000 Total energy: -1019.682283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.682283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.682283 (E_RNA) where: Base-Base interactions energy: -684.385 where: short stacking energy: -312.760 Base-Backbone interact. energy: -0.872 local terms energy: -334.425249 where: bonds (distance) C4'-P energy: -58.498 bonds (distance) P-C4' energy: -67.525 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -47.822 tors. eta vs tors. theta energy: -83.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -992.413052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.413052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.413052 (E_RNA) where: Base-Base interactions energy: -674.317 where: short stacking energy: -295.898 Base-Backbone interact. energy: -3.327 local terms energy: -314.768307 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -67.702 flat angles C4'-P-C4' energy: -69.538 flat angles P-C4'-P energy: -39.427 tors. eta vs tors. theta energy: -78.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -950.052711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.052711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.052711 (E_RNA) where: Base-Base interactions energy: -641.087 where: short stacking energy: -291.695 Base-Backbone interact. energy: -0.529 local terms energy: -308.437492 where: bonds (distance) C4'-P energy: -57.821 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -59.429 flat angles P-C4'-P energy: -39.643 tors. eta vs tors. theta energy: -86.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -899.896685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.896685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.896685 (E_RNA) where: Base-Base interactions energy: -621.611 where: short stacking energy: -250.260 Base-Backbone interact. energy: -0.932 local terms energy: -277.352911 where: bonds (distance) C4'-P energy: -47.623 bonds (distance) P-C4' energy: -68.141 flat angles C4'-P-C4' energy: -59.115 flat angles P-C4'-P energy: -33.166 tors. eta vs tors. theta energy: -69.308 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: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -819.560897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.560897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.560897 (E_RNA) where: Base-Base interactions energy: -532.461 where: short stacking energy: -239.063 Base-Backbone interact. energy: -1.626 local terms energy: -285.474031 where: bonds (distance) C4'-P energy: -66.987 bonds (distance) P-C4' energy: -55.803 flat angles C4'-P-C4' energy: -60.213 flat angles P-C4'-P energy: -36.226 tors. eta vs tors. theta energy: -66.245 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: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -746.842779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.842779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.842779 (E_RNA) where: Base-Base interactions energy: -475.083 where: short stacking energy: -223.994 Base-Backbone interact. energy: -0.362 local terms energy: -271.397732 where: bonds (distance) C4'-P energy: -51.810 bonds (distance) P-C4' energy: -64.213 flat angles C4'-P-C4' energy: -53.848 flat angles P-C4'-P energy: -41.275 tors. eta vs tors. theta energy: -60.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -735.998617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.998617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.998617 (E_RNA) where: Base-Base interactions energy: -468.369 where: short stacking energy: -212.525 Base-Backbone interact. energy: -0.282 local terms energy: -267.347899 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -48.138 flat angles C4'-P-C4' energy: -62.838 flat angles P-C4'-P energy: -42.775 tors. eta vs tors. theta energy: -56.523 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -465.958098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.958098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.958098 (E_RNA) where: Base-Base interactions energy: -269.570 where: short stacking energy: -160.548 Base-Backbone interact. energy: -0.886 local terms energy: -195.502475 where: bonds (distance) C4'-P energy: -49.586 bonds (distance) P-C4' energy: -56.362 flat angles C4'-P-C4' energy: -42.528 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: -11.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -281.540250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.540250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.540250 (E_RNA) where: Base-Base interactions energy: -95.991 where: short stacking energy: -91.187 Base-Backbone interact. energy: 0.954 local terms energy: -186.502772 where: bonds (distance) C4'-P energy: -51.452 bonds (distance) P-C4' energy: -53.265 flat angles C4'-P-C4' energy: -53.287 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: 10.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -263.919901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.919901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.919901 (E_RNA) where: Base-Base interactions energy: -88.140 where: short stacking energy: -73.902 Base-Backbone interact. energy: -2.842 local terms energy: -172.938279 where: bonds (distance) C4'-P energy: -57.065 bonds (distance) P-C4' energy: -56.196 flat angles C4'-P-C4' energy: -43.579 flat angles P-C4'-P energy: -21.840 tors. eta vs tors. theta energy: 5.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1011.239283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.239283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.239283 (E_RNA) where: Base-Base interactions energy: -689.870 where: short stacking energy: -315.916 Base-Backbone interact. energy: 1.932 local terms energy: -323.301150 where: bonds (distance) C4'-P energy: -54.768 bonds (distance) P-C4' energy: -56.770 flat angles C4'-P-C4' energy: -70.913 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: -86.716 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: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1020.674746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.674746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.674746 (E_RNA) where: Base-Base interactions energy: -700.283 where: short stacking energy: -303.851 Base-Backbone interact. energy: -0.517 local terms energy: -319.874897 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -61.039 flat angles C4'-P-C4' energy: -69.335 flat angles P-C4'-P energy: -44.614 tors. eta vs tors. theta energy: -88.176 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: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -957.665632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.665632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.665632 (E_RNA) where: Base-Base interactions energy: -648.034 where: short stacking energy: -298.636 Base-Backbone interact. energy: -0.970 local terms energy: -308.662039 where: bonds (distance) C4'-P energy: -55.011 bonds (distance) P-C4' energy: -62.917 flat angles C4'-P-C4' energy: -73.435 flat angles P-C4'-P energy: -41.360 tors. eta vs tors. theta energy: -75.939 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: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -878.743707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.743707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.743707 (E_RNA) where: Base-Base interactions energy: -576.453 where: short stacking energy: -283.507 Base-Backbone interact. energy: -1.049 local terms energy: -301.241974 where: bonds (distance) C4'-P energy: -52.438 bonds (distance) P-C4' energy: -59.396 flat angles C4'-P-C4' energy: -72.344 flat angles P-C4'-P energy: -40.500 tors. eta vs tors. theta energy: -76.564 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: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -794.753264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.753264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.753264 (E_RNA) where: Base-Base interactions energy: -514.714 where: short stacking energy: -251.787 Base-Backbone interact. energy: 0.755 local terms energy: -280.794222 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -57.065 flat angles C4'-P-C4' energy: -64.545 flat angles P-C4'-P energy: -37.628 tors. eta vs tors. theta energy: -62.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -796.258429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.258429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.258429 (E_RNA) where: Base-Base interactions energy: -526.162 where: short stacking energy: -251.982 Base-Backbone interact. energy: 3.155 local terms energy: -273.250955 where: bonds (distance) C4'-P energy: -48.457 bonds (distance) P-C4' energy: -63.944 flat angles C4'-P-C4' energy: -54.995 flat angles P-C4'-P energy: -43.900 tors. eta vs tors. theta energy: -61.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -719.246598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.246598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.246598 (E_RNA) where: Base-Base interactions energy: -447.168 where: short stacking energy: -218.437 Base-Backbone interact. energy: -2.127 local terms energy: -269.951763 where: bonds (distance) C4'-P energy: -51.600 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -69.425 flat angles P-C4'-P energy: -32.636 tors. eta vs tors. theta energy: -54.847 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: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -495.364989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.364989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.364989 (E_RNA) where: Base-Base interactions energy: -285.126 where: short stacking energy: -117.480 Base-Backbone interact. energy: -1.573 local terms energy: -208.666000 where: bonds (distance) C4'-P energy: -57.551 bonds (distance) P-C4' energy: -57.189 flat angles C4'-P-C4' energy: -52.018 flat angles P-C4'-P energy: -27.200 tors. eta vs tors. theta energy: -14.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -286.852013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.852013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.852013 (E_RNA) where: Base-Base interactions energy: -90.690 where: short stacking energy: -79.282 Base-Backbone interact. energy: 1.351 local terms energy: -197.513261 where: bonds (distance) C4'-P energy: -53.878 bonds (distance) P-C4' energy: -63.427 flat angles C4'-P-C4' energy: -49.363 flat angles P-C4'-P energy: -34.058 tors. eta vs tors. theta energy: 3.213 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: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -262.545961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.545961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.545961 (E_RNA) where: Base-Base interactions energy: -84.956 where: short stacking energy: -65.623 Base-Backbone interact. energy: -1.783 local terms energy: -175.807281 where: bonds (distance) C4'-P energy: -49.008 bonds (distance) P-C4' energy: -52.922 flat angles C4'-P-C4' energy: -52.197 flat angles P-C4'-P energy: -31.518 tors. eta vs tors. theta energy: 9.838 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: 315 Temperature: 0.900000 Total energy: -1010.495553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.495553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.495553 (E_RNA) where: Base-Base interactions energy: -693.945 where: short stacking energy: -304.825 Base-Backbone interact. energy: 1.515 local terms energy: -318.064942 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -59.501 flat angles C4'-P-C4' energy: -66.092 flat angles P-C4'-P energy: -50.337 tors. eta vs tors. theta energy: -80.164 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: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1037.222754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.222754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.222754 (E_RNA) where: Base-Base interactions energy: -705.343 where: short stacking energy: -325.890 Base-Backbone interact. energy: 0.440 local terms energy: -332.319285 where: bonds (distance) C4'-P energy: -66.784 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -65.108 flat angles P-C4'-P energy: -48.225 tors. eta vs tors. theta energy: -89.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -965.732545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.732545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.732545 (E_RNA) where: Base-Base interactions energy: -649.119 where: short stacking energy: -295.036 Base-Backbone interact. energy: 1.311 local terms energy: -317.924862 where: bonds (distance) C4'-P energy: -55.749 bonds (distance) P-C4' energy: -70.672 flat angles C4'-P-C4' energy: -62.425 flat angles P-C4'-P energy: -38.936 tors. eta vs tors. theta energy: -90.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -908.521564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.521564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.521564 (E_RNA) where: Base-Base interactions energy: -611.017 where: short stacking energy: -288.584 Base-Backbone interact. energy: -1.315 local terms energy: -296.189085 where: bonds (distance) C4'-P energy: -55.044 bonds (distance) P-C4' energy: -52.425 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -38.662 tors. eta vs tors. theta energy: -79.931 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: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -764.681704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.681704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.681704 (E_RNA) where: Base-Base interactions energy: -487.298 where: short stacking energy: -231.794 Base-Backbone interact. energy: -0.562 local terms energy: -276.822202 where: bonds (distance) C4'-P energy: -55.813 bonds (distance) P-C4' energy: -55.184 flat angles C4'-P-C4' energy: -55.475 flat angles P-C4'-P energy: -48.073 tors. eta vs tors. theta energy: -62.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -795.214773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.214773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.214773 (E_RNA) where: Base-Base interactions energy: -511.213 where: short stacking energy: -246.010 Base-Backbone interact. energy: -0.464 local terms energy: -283.537591 where: bonds (distance) C4'-P energy: -54.850 bonds (distance) P-C4' energy: -54.755 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -43.236 tors. eta vs tors. theta energy: -66.569 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: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -720.775143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.775143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.775143 (E_RNA) where: Base-Base interactions energy: -442.037 where: short stacking energy: -207.612 Base-Backbone interact. energy: -0.926 local terms energy: -277.811931 where: bonds (distance) C4'-P energy: -52.575 bonds (distance) P-C4' energy: -66.080 flat angles C4'-P-C4' energy: -53.671 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -61.610 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: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -520.694932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.694932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.694932 (E_RNA) where: Base-Base interactions energy: -305.630 where: short stacking energy: -146.834 Base-Backbone interact. energy: 0.367 local terms energy: -215.432086 where: bonds (distance) C4'-P energy: -50.265 bonds (distance) P-C4' energy: -48.242 flat angles C4'-P-C4' energy: -55.749 flat angles P-C4'-P energy: -35.425 tors. eta vs tors. theta energy: -25.751 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: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -343.004188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.004188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.004188 (E_RNA) where: Base-Base interactions energy: -147.925 where: short stacking energy: -104.102 Base-Backbone interact. energy: -1.339 local terms energy: -193.740400 where: bonds (distance) C4'-P energy: -50.584 bonds (distance) P-C4' energy: -52.022 flat angles C4'-P-C4' energy: -49.735 flat angles P-C4'-P energy: -36.626 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -271.760994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.760994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.760994 (E_RNA) where: Base-Base interactions energy: -95.193 where: short stacking energy: -77.629 Base-Backbone interact. energy: 3.368 local terms energy: -179.935374 where: bonds (distance) C4'-P energy: -48.402 bonds (distance) P-C4' energy: -59.626 flat angles C4'-P-C4' energy: -41.595 flat angles P-C4'-P energy: -31.456 tors. eta vs tors. theta energy: 1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1028.391823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.391823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.391823 (E_RNA) where: Base-Base interactions energy: -681.243 where: short stacking energy: -296.873 Base-Backbone interact. energy: -1.910 local terms energy: -345.239325 where: bonds (distance) C4'-P energy: -69.755 bonds (distance) P-C4' energy: -66.357 flat angles C4'-P-C4' energy: -69.948 flat angles P-C4'-P energy: -51.392 tors. eta vs tors. theta energy: -87.787 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: 2, replica: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1028.162211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.162211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.162211 (E_RNA) where: Base-Base interactions energy: -702.797 where: short stacking energy: -314.467 Base-Backbone interact. energy: -3.105 local terms energy: -322.260323 where: bonds (distance) C4'-P energy: -60.783 bonds (distance) P-C4' energy: -66.769 flat angles C4'-P-C4' energy: -57.920 flat angles P-C4'-P energy: -48.783 tors. eta vs tors. theta energy: -88.005 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: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -962.367607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.367607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.367607 (E_RNA) where: Base-Base interactions energy: -639.467 where: short stacking energy: -289.273 Base-Backbone interact. energy: -0.754 local terms energy: -322.146921 where: bonds (distance) C4'-P energy: -49.574 bonds (distance) P-C4' energy: -64.731 flat angles C4'-P-C4' energy: -71.272 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: -80.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -894.767457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.767457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.767457 (E_RNA) where: Base-Base interactions energy: -601.189 where: short stacking energy: -279.125 Base-Backbone interact. energy: 0.131 local terms energy: -293.709095 where: bonds (distance) C4'-P energy: -59.700 bonds (distance) P-C4' energy: -51.110 flat angles C4'-P-C4' energy: -64.073 flat angles P-C4'-P energy: -34.041 tors. eta vs tors. theta energy: -84.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -806.403980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.403980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.403980 (E_RNA) where: Base-Base interactions energy: -522.988 where: short stacking energy: -243.270 Base-Backbone interact. energy: 1.070 local terms energy: -284.486250 where: bonds (distance) C4'-P energy: -64.333 bonds (distance) P-C4' energy: -65.400 flat angles C4'-P-C4' energy: -54.996 flat angles P-C4'-P energy: -38.931 tors. eta vs tors. theta energy: -60.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -819.351210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.351210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.351210 (E_RNA) where: Base-Base interactions energy: -534.416 where: short stacking energy: -242.999 Base-Backbone interact. energy: -1.207 local terms energy: -283.727998 where: bonds (distance) C4'-P energy: -51.109 bonds (distance) P-C4' energy: -60.549 flat angles C4'-P-C4' energy: -69.773 flat angles P-C4'-P energy: -33.545 tors. eta vs tors. theta energy: -68.751 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: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -693.673185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.673185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.673185 (E_RNA) where: Base-Base interactions energy: -438.161 where: short stacking energy: -200.587 Base-Backbone interact. energy: -1.475 local terms energy: -254.037007 where: bonds (distance) C4'-P energy: -49.170 bonds (distance) P-C4' energy: -59.580 flat angles C4'-P-C4' energy: -62.590 flat angles P-C4'-P energy: -36.451 tors. eta vs tors. theta energy: -46.246 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: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -506.216765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.216765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.216765 (E_RNA) where: Base-Base interactions energy: -299.678 where: short stacking energy: -140.929 Base-Backbone interact. energy: -0.842 local terms energy: -205.697334 where: bonds (distance) C4'-P energy: -60.625 bonds (distance) P-C4' energy: -67.773 flat angles C4'-P-C4' energy: -53.742 flat angles P-C4'-P energy: -9.445 tors. eta vs tors. theta energy: -14.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -322.346916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.346916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.346916 (E_RNA) where: Base-Base interactions energy: -141.412 where: short stacking energy: -82.250 Base-Backbone interact. energy: -0.855 local terms energy: -180.079862 where: bonds (distance) C4'-P energy: -57.701 bonds (distance) P-C4' energy: -50.106 flat angles C4'-P-C4' energy: -42.836 flat angles P-C4'-P energy: -25.294 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -255.556652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.556652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.556652 (E_RNA) where: Base-Base interactions energy: -84.087 where: short stacking energy: -81.904 Base-Backbone interact. energy: -0.079 local terms energy: -171.390761 where: bonds (distance) C4'-P energy: -41.243 bonds (distance) P-C4' energy: -63.973 flat angles C4'-P-C4' energy: -38.991 flat angles P-C4'-P energy: -25.920 tors. eta vs tors. theta energy: -1.264 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: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1027.515210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.515210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.515210 (E_RNA) where: Base-Base interactions energy: -688.953 where: short stacking energy: -320.920 Base-Backbone interact. energy: 0.128 local terms energy: -338.690200 where: bonds (distance) C4'-P energy: -66.711 bonds (distance) P-C4' energy: -66.748 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -51.563 tors. eta vs tors. theta energy: -83.516 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: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1001.750006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.750006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.750006 (E_RNA) where: Base-Base interactions energy: -698.652 where: short stacking energy: -304.714 Base-Backbone interact. energy: -0.403 local terms energy: -302.694500 where: bonds (distance) C4'-P energy: -52.807 bonds (distance) P-C4' energy: -67.949 flat angles C4'-P-C4' energy: -64.813 flat angles P-C4'-P energy: -34.593 tors. eta vs tors. theta energy: -82.533 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: 1 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -956.390761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.390761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.390761 (E_RNA) where: Base-Base interactions energy: -641.107 where: short stacking energy: -286.921 Base-Backbone interact. energy: -1.264 local terms energy: -314.020436 where: bonds (distance) C4'-P energy: -58.135 bonds (distance) P-C4' energy: -59.928 flat angles C4'-P-C4' energy: -72.588 flat angles P-C4'-P energy: -43.745 tors. eta vs tors. theta energy: -79.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -873.168585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.168585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.168585 (E_RNA) where: Base-Base interactions energy: -586.981 where: short stacking energy: -256.799 Base-Backbone interact. energy: 0.393 local terms energy: -286.581000 where: bonds (distance) C4'-P energy: -56.812 bonds (distance) P-C4' energy: -54.008 flat angles C4'-P-C4' energy: -69.979 flat angles P-C4'-P energy: -30.437 tors. eta vs tors. theta energy: -75.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -828.253969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.253969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.253969 (E_RNA) where: Base-Base interactions energy: -531.087 where: short stacking energy: -257.623 Base-Backbone interact. energy: -1.311 local terms energy: -295.856576 where: bonds (distance) C4'-P energy: -53.617 bonds (distance) P-C4' energy: -63.993 flat angles C4'-P-C4' energy: -68.331 flat angles P-C4'-P energy: -36.881 tors. eta vs tors. theta energy: -73.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -764.315343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.315343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.315343 (E_RNA) where: Base-Base interactions energy: -499.165 where: short stacking energy: -248.304 Base-Backbone interact. energy: -0.934 local terms energy: -264.215843 where: bonds (distance) C4'-P energy: -42.934 bonds (distance) P-C4' energy: -57.437 flat angles C4'-P-C4' energy: -55.917 flat angles P-C4'-P energy: -42.495 tors. eta vs tors. theta energy: -65.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -758.342614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.342614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.342614 (E_RNA) where: Base-Base interactions energy: -469.171 where: short stacking energy: -229.429 Base-Backbone interact. energy: -0.764 local terms energy: -288.407251 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -62.835 flat angles C4'-P-C4' energy: -65.874 flat angles P-C4'-P energy: -42.668 tors. eta vs tors. theta energy: -60.719 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: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -486.131752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.131752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.131752 (E_RNA) where: Base-Base interactions energy: -292.280 where: short stacking energy: -165.657 Base-Backbone interact. energy: -1.077 local terms energy: -192.775029 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -41.326 flat angles C4'-P-C4' energy: -46.905 flat angles P-C4'-P energy: -24.747 tors. eta vs tors. theta energy: -26.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -286.878570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.878570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.878570 (E_RNA) where: Base-Base interactions energy: -104.292 where: short stacking energy: -82.576 Base-Backbone interact. energy: 3.751 local terms energy: -186.337722 where: bonds (distance) C4'-P energy: -50.431 bonds (distance) P-C4' energy: -56.776 flat angles C4'-P-C4' energy: -47.527 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -292.220573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.220573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.220573 (E_RNA) where: Base-Base interactions energy: -117.445 where: short stacking energy: -71.848 Base-Backbone interact. energy: -0.770 local terms energy: -174.006199 where: bonds (distance) C4'-P energy: -50.140 bonds (distance) P-C4' energy: -65.322 flat angles C4'-P-C4' energy: -48.613 flat angles P-C4'-P energy: -23.769 tors. eta vs tors. theta energy: 13.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1040.409162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.409162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.409162 (E_RNA) where: Base-Base interactions energy: -701.636 where: short stacking energy: -318.183 Base-Backbone interact. energy: -2.385 local terms energy: -336.388943 where: bonds (distance) C4'-P energy: -59.120 bonds (distance) P-C4' energy: -70.138 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -86.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -993.927262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.927262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.927262 (E_RNA) where: Base-Base interactions energy: -673.393 where: short stacking energy: -298.602 Base-Backbone interact. energy: 2.288 local terms energy: -322.821453 where: bonds (distance) C4'-P energy: -59.890 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -43.501 tors. eta vs tors. theta energy: -81.367 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: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -967.181267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.181267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.181267 (E_RNA) where: Base-Base interactions energy: -642.852 where: short stacking energy: -281.582 Base-Backbone interact. energy: 2.497 local terms energy: -326.826167 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -68.389 flat angles P-C4'-P energy: -46.098 tors. eta vs tors. theta energy: -81.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -879.193074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.193074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.193074 (E_RNA) where: Base-Base interactions energy: -571.815 where: short stacking energy: -258.385 Base-Backbone interact. energy: 0.614 local terms energy: -307.992786 where: bonds (distance) C4'-P energy: -65.180 bonds (distance) P-C4' energy: -56.249 flat angles C4'-P-C4' energy: -70.424 flat angles P-C4'-P energy: -46.817 tors. eta vs tors. theta energy: -69.323 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: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -817.928230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.928230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.928230 (E_RNA) where: Base-Base interactions energy: -535.657 where: short stacking energy: -245.658 Base-Backbone interact. energy: -1.723 local terms energy: -280.548182 where: bonds (distance) C4'-P energy: -53.436 bonds (distance) P-C4' energy: -57.952 flat angles C4'-P-C4' energy: -63.993 flat angles P-C4'-P energy: -43.142 tors. eta vs tors. theta energy: -62.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -752.532165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.532165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.532165 (E_RNA) where: Base-Base interactions energy: -474.483 where: short stacking energy: -241.824 Base-Backbone interact. energy: -0.580 local terms energy: -277.470042 where: bonds (distance) C4'-P energy: -56.364 bonds (distance) P-C4' energy: -61.603 flat angles C4'-P-C4' energy: -55.932 flat angles P-C4'-P energy: -37.296 tors. eta vs tors. theta energy: -66.274 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: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -702.303455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.303455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.303455 (E_RNA) where: Base-Base interactions energy: -461.869 where: short stacking energy: -203.558 Base-Backbone interact. energy: 0.506 local terms energy: -240.940765 where: bonds (distance) C4'-P energy: -48.565 bonds (distance) P-C4' energy: -49.486 flat angles C4'-P-C4' energy: -60.656 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -45.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -510.883317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.883317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.883317 (E_RNA) where: Base-Base interactions energy: -300.196 where: short stacking energy: -156.325 Base-Backbone interact. energy: -1.721 local terms energy: -208.966031 where: bonds (distance) C4'-P energy: -55.183 bonds (distance) P-C4' energy: -56.365 flat angles C4'-P-C4' energy: -47.357 flat angles P-C4'-P energy: -24.312 tors. eta vs tors. theta energy: -25.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -306.851360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.851360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.851360 (E_RNA) where: Base-Base interactions energy: -117.372 where: short stacking energy: -81.987 Base-Backbone interact. energy: -0.917 local terms energy: -188.562171 where: bonds (distance) C4'-P energy: -49.705 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -40.875 flat angles P-C4'-P energy: -44.522 tors. eta vs tors. theta energy: 6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -270.051740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.051740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.051740 (E_RNA) where: Base-Base interactions energy: -103.959 where: short stacking energy: -84.771 Base-Backbone interact. energy: -0.692 local terms energy: -165.400646 where: bonds (distance) C4'-P energy: -49.013 bonds (distance) P-C4' energy: -51.227 flat angles C4'-P-C4' energy: -37.667 flat angles P-C4'-P energy: -33.562 tors. eta vs tors. theta energy: 6.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1035.828915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.828915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.828915 (E_RNA) where: Base-Base interactions energy: -710.122 where: short stacking energy: -311.914 Base-Backbone interact. energy: -2.580 local terms energy: -323.126560 where: bonds (distance) C4'-P energy: -67.856 bonds (distance) P-C4' energy: -56.260 flat angles C4'-P-C4' energy: -74.146 flat angles P-C4'-P energy: -40.086 tors. eta vs tors. theta energy: -84.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1008.830162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.830162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.830162 (E_RNA) where: Base-Base interactions energy: -675.438 where: short stacking energy: -301.712 Base-Backbone interact. energy: -0.041 local terms energy: -333.351711 where: bonds (distance) C4'-P energy: -61.154 bonds (distance) P-C4' energy: -68.961 flat angles C4'-P-C4' energy: -67.688 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -82.346 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: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -941.896232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.896232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.896232 (E_RNA) where: Base-Base interactions energy: -628.842 where: short stacking energy: -273.412 Base-Backbone interact. energy: 2.182 local terms energy: -315.236847 where: bonds (distance) C4'-P energy: -61.110 bonds (distance) P-C4' energy: -66.925 flat angles C4'-P-C4' energy: -61.376 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -73.764 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: 319 Temperature: 1.050000 Total energy: -917.655531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.655531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.655531 (E_RNA) where: Base-Base interactions energy: -621.181 where: short stacking energy: -299.048 Base-Backbone interact. energy: -2.580 local terms energy: -293.893971 where: bonds (distance) C4'-P energy: -47.117 bonds (distance) P-C4' energy: -62.586 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -35.839 tors. eta vs tors. theta energy: -87.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -796.055618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.055618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.055618 (E_RNA) where: Base-Base interactions energy: -512.494 where: short stacking energy: -221.936 Base-Backbone interact. energy: -1.205 local terms energy: -282.357247 where: bonds (distance) C4'-P energy: -62.453 bonds (distance) P-C4' energy: -62.531 flat angles C4'-P-C4' energy: -57.406 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -57.176 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: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -766.317453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.317453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.317453 (E_RNA) where: Base-Base interactions energy: -513.236 where: short stacking energy: -231.066 Base-Backbone interact. energy: -0.561 local terms energy: -252.520744 where: bonds (distance) C4'-P energy: -48.655 bonds (distance) P-C4' energy: -47.265 flat angles C4'-P-C4' energy: -64.892 flat angles P-C4'-P energy: -29.754 tors. eta vs tors. theta energy: -61.955 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: 7 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -695.003132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.003132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.003132 (E_RNA) where: Base-Base interactions energy: -431.456 where: short stacking energy: -206.843 Base-Backbone interact. energy: -0.366 local terms energy: -263.180941 where: bonds (distance) C4'-P energy: -46.885 bonds (distance) P-C4' energy: -51.671 flat angles C4'-P-C4' energy: -62.178 flat angles P-C4'-P energy: -42.849 tors. eta vs tors. theta energy: -59.598 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: 319 Temperature: 1.250000 Total energy: -492.528697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.528697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.528697 (E_RNA) where: Base-Base interactions energy: -272.196 where: short stacking energy: -146.471 Base-Backbone interact. energy: -0.687 local terms energy: -219.645503 where: bonds (distance) C4'-P energy: -45.091 bonds (distance) P-C4' energy: -64.663 flat angles C4'-P-C4' energy: -50.443 flat angles P-C4'-P energy: -32.895 tors. eta vs tors. theta energy: -26.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -343.587937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.587937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.587937 (E_RNA) where: Base-Base interactions energy: -161.501 where: short stacking energy: -123.479 Base-Backbone interact. energy: -0.344 local terms energy: -181.742407 where: bonds (distance) C4'-P energy: -47.152 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -50.848 flat angles P-C4'-P energy: -15.323 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -253.478171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.478171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.478171 (E_RNA) where: Base-Base interactions energy: -83.256 where: short stacking energy: -71.670 Base-Backbone interact. energy: -1.057 local terms energy: -169.164521 where: bonds (distance) C4'-P energy: -51.912 bonds (distance) P-C4' energy: -51.107 flat angles C4'-P-C4' energy: -43.947 flat angles P-C4'-P energy: -29.486 tors. eta vs tors. theta energy: 7.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1064.751312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.751312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.751312 (E_RNA) where: Base-Base interactions energy: -726.211 where: short stacking energy: -312.858 Base-Backbone interact. energy: -0.795 local terms energy: -337.745806 where: bonds (distance) C4'-P energy: -71.550 bonds (distance) P-C4' energy: -64.350 flat angles C4'-P-C4' energy: -63.329 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -91.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -989.856372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.856372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.856372 (E_RNA) where: Base-Base interactions energy: -669.507 where: short stacking energy: -297.681 Base-Backbone interact. energy: -0.116 local terms energy: -320.233693 where: bonds (distance) C4'-P energy: -57.300 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -73.039 flat angles P-C4'-P energy: -41.578 tors. eta vs tors. theta energy: -85.565 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: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -931.682383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.682383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.682383 (E_RNA) where: Base-Base interactions energy: -634.693 where: short stacking energy: -256.534 Base-Backbone interact. energy: -1.448 local terms energy: -295.540695 where: bonds (distance) C4'-P energy: -59.822 bonds (distance) P-C4' energy: -54.837 flat angles C4'-P-C4' energy: -66.442 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -64.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -915.945761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.945761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.945761 (E_RNA) where: Base-Base interactions energy: -598.525 where: short stacking energy: -286.239 Base-Backbone interact. energy: -1.935 local terms energy: -315.485818 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -58.839 flat angles C4'-P-C4' energy: -67.184 flat angles P-C4'-P energy: -49.087 tors. eta vs tors. theta energy: -82.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -796.187811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.187811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.187811 (E_RNA) where: Base-Base interactions energy: -516.786 where: short stacking energy: -232.230 Base-Backbone interact. energy: -2.242 local terms energy: -277.159649 where: bonds (distance) C4'-P energy: -51.227 bonds (distance) P-C4' energy: -53.174 flat angles C4'-P-C4' energy: -58.120 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -65.122 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: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -739.434243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.434243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.434243 (E_RNA) where: Base-Base interactions energy: -463.000 where: short stacking energy: -211.115 Base-Backbone interact. energy: -0.685 local terms energy: -275.749528 where: bonds (distance) C4'-P energy: -53.639 bonds (distance) P-C4' energy: -57.752 flat angles C4'-P-C4' energy: -65.644 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: -60.243 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: 7 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -725.054357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.054357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.054357 (E_RNA) where: Base-Base interactions energy: -467.253 where: short stacking energy: -229.726 Base-Backbone interact. energy: -0.907 local terms energy: -256.894228 where: bonds (distance) C4'-P energy: -55.773 bonds (distance) P-C4' energy: -60.920 flat angles C4'-P-C4' energy: -53.079 flat angles P-C4'-P energy: -30.420 tors. eta vs tors. theta energy: -56.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -501.632530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.632530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.632530 (E_RNA) where: Base-Base interactions energy: -278.914 where: short stacking energy: -152.944 Base-Backbone interact. energy: -1.585 local terms energy: -221.134124 where: bonds (distance) C4'-P energy: -48.139 bonds (distance) P-C4' energy: -62.092 flat angles C4'-P-C4' energy: -54.042 flat angles P-C4'-P energy: -34.395 tors. eta vs tors. theta energy: -22.467 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: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -495.549094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.549094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.549094 (E_RNA) where: Base-Base interactions energy: -291.896 where: short stacking energy: -153.178 Base-Backbone interact. energy: -1.154 local terms energy: -202.498851 where: bonds (distance) C4'-P energy: -47.492 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -42.549 flat angles P-C4'-P energy: -34.948 tors. eta vs tors. theta energy: -19.261 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: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -289.457963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.457963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.457963 (E_RNA) where: Base-Base interactions energy: -112.896 where: short stacking energy: -97.524 Base-Backbone interact. energy: -3.020 local terms energy: -173.541685 where: bonds (distance) C4'-P energy: -55.312 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -45.080 flat angles P-C4'-P energy: -18.580 tors. eta vs tors. theta energy: 6.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1080.531612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.531612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.531612 (E_RNA) where: Base-Base interactions energy: -748.727 where: short stacking energy: -323.303 Base-Backbone interact. energy: -1.052 local terms energy: -330.752959 where: bonds (distance) C4'-P energy: -66.301 bonds (distance) P-C4' energy: -61.222 flat angles C4'-P-C4' energy: -78.085 flat angles P-C4'-P energy: -39.495 tors. eta vs tors. theta energy: -85.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -996.283802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.283802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.283802 (E_RNA) where: Base-Base interactions energy: -660.928 where: short stacking energy: -308.738 Base-Backbone interact. energy: 1.295 local terms energy: -336.650104 where: bonds (distance) C4'-P energy: -62.193 bonds (distance) P-C4' energy: -66.038 flat angles C4'-P-C4' energy: -74.330 flat angles P-C4'-P energy: -46.458 tors. eta vs tors. theta energy: -87.632 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: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -976.519108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.519108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.519108 (E_RNA) where: Base-Base interactions energy: -676.020 where: short stacking energy: -306.471 Base-Backbone interact. energy: -1.069 local terms energy: -299.430052 where: bonds (distance) C4'-P energy: -62.019 bonds (distance) P-C4' energy: -58.301 flat angles C4'-P-C4' energy: -57.992 flat angles P-C4'-P energy: -39.966 tors. eta vs tors. theta energy: -81.152 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: 321 Temperature: 1.050000 Total energy: -895.292731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.292731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.292731 (E_RNA) where: Base-Base interactions energy: -604.077 where: short stacking energy: -283.373 Base-Backbone interact. energy: 1.119 local terms energy: -292.335330 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -45.323 flat angles C4'-P-C4' energy: -67.174 flat angles P-C4'-P energy: -36.698 tors. eta vs tors. theta energy: -85.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -797.810165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.810165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.810165 (E_RNA) where: Base-Base interactions energy: -522.357 where: short stacking energy: -231.831 Base-Backbone interact. energy: -1.165 local terms energy: -274.288402 where: bonds (distance) C4'-P energy: -48.211 bonds (distance) P-C4' energy: -70.186 flat angles C4'-P-C4' energy: -73.666 flat angles P-C4'-P energy: -28.790 tors. eta vs tors. theta energy: -53.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -722.774884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.774884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.774884 (E_RNA) where: Base-Base interactions energy: -472.739 where: short stacking energy: -233.365 Base-Backbone interact. energy: 0.982 local terms energy: -251.017583 where: bonds (distance) C4'-P energy: -54.701 bonds (distance) P-C4' energy: -56.149 flat angles C4'-P-C4' energy: -48.127 flat angles P-C4'-P energy: -41.651 tors. eta vs tors. theta energy: -50.390 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: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -708.460379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.460379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.460379 (E_RNA) where: Base-Base interactions energy: -441.398 where: short stacking energy: -209.431 Base-Backbone interact. energy: -1.066 local terms energy: -265.995866 where: bonds (distance) C4'-P energy: -58.571 bonds (distance) P-C4' energy: -67.419 flat angles C4'-P-C4' energy: -55.198 flat angles P-C4'-P energy: -32.581 tors. eta vs tors. theta energy: -52.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -523.700672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.700672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.700672 (E_RNA) where: Base-Base interactions energy: -309.381 where: short stacking energy: -155.010 Base-Backbone interact. energy: -0.192 local terms energy: -214.126856 where: bonds (distance) C4'-P energy: -45.228 bonds (distance) P-C4' energy: -61.056 flat angles C4'-P-C4' energy: -48.001 flat angles P-C4'-P energy: -34.110 tors. eta vs tors. theta energy: -25.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -469.659080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.659080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.659080 (E_RNA) where: Base-Base interactions energy: -273.625 where: short stacking energy: -150.006 Base-Backbone interact. energy: 2.299 local terms energy: -198.332213 where: bonds (distance) C4'-P energy: -47.090 bonds (distance) P-C4' energy: -54.550 flat angles C4'-P-C4' energy: -48.179 flat angles P-C4'-P energy: -29.228 tors. eta vs tors. theta energy: -19.285 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: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -268.785009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.785009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.785009 (E_RNA) where: Base-Base interactions energy: -107.261 where: short stacking energy: -87.339 Base-Backbone interact. energy: -0.695 local terms energy: -160.828998 where: bonds (distance) C4'-P energy: -36.773 bonds (distance) P-C4' energy: -51.917 flat angles C4'-P-C4' energy: -48.810 flat angles P-C4'-P energy: -33.778 tors. eta vs tors. theta energy: 10.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1076.652569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.652569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.652569 (E_RNA) where: Base-Base interactions energy: -729.702 where: short stacking energy: -331.992 Base-Backbone interact. energy: -2.912 local terms energy: -344.038865 where: bonds (distance) C4'-P energy: -62.743 bonds (distance) P-C4' energy: -64.182 flat angles C4'-P-C4' energy: -78.588 flat angles P-C4'-P energy: -46.430 tors. eta vs tors. theta energy: -92.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -986.410475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.410475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.410475 (E_RNA) where: Base-Base interactions energy: -666.758 where: short stacking energy: -300.636 Base-Backbone interact. energy: 1.153 local terms energy: -320.805395 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -70.118 flat angles C4'-P-C4' energy: -65.918 flat angles P-C4'-P energy: -39.898 tors. eta vs tors. theta energy: -84.598 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: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -966.801404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.801404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.801404 (E_RNA) where: Base-Base interactions energy: -659.138 where: short stacking energy: -281.597 Base-Backbone interact. energy: -2.109 local terms energy: -305.554683 where: bonds (distance) C4'-P energy: -59.968 bonds (distance) P-C4' energy: -66.572 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -32.399 tors. eta vs tors. theta energy: -78.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -929.500899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.500899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.500899 (E_RNA) where: Base-Base interactions energy: -613.669 where: short stacking energy: -282.504 Base-Backbone interact. energy: -1.588 local terms energy: -314.243604 where: bonds (distance) C4'-P energy: -58.408 bonds (distance) P-C4' energy: -62.297 flat angles C4'-P-C4' energy: -71.610 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -79.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -822.234357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.234357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.234357 (E_RNA) where: Base-Base interactions energy: -548.792 where: short stacking energy: -250.659 Base-Backbone interact. energy: -1.268 local terms energy: -272.174499 where: bonds (distance) C4'-P energy: -53.035 bonds (distance) P-C4' energy: -68.098 flat angles C4'-P-C4' energy: -58.044 flat angles P-C4'-P energy: -38.908 tors. eta vs tors. theta energy: -54.091 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: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -711.251749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.251749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.251749 (E_RNA) where: Base-Base interactions energy: -469.032 where: short stacking energy: -206.898 Base-Backbone interact. energy: 0.270 local terms energy: -242.489598 where: bonds (distance) C4'-P energy: -54.132 bonds (distance) P-C4' energy: -62.621 flat angles C4'-P-C4' energy: -55.134 flat angles P-C4'-P energy: -26.773 tors. eta vs tors. theta energy: -43.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -701.013026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.013026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.013026 (E_RNA) where: Base-Base interactions energy: -449.954 where: short stacking energy: -214.495 Base-Backbone interact. energy: -0.730 local terms energy: -250.329392 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -56.428 flat angles C4'-P-C4' energy: -53.411 flat angles P-C4'-P energy: -29.685 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: 8, replica: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -558.147576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.147576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.147576 (E_RNA) where: Base-Base interactions energy: -332.449 where: short stacking energy: -178.981 Base-Backbone interact. energy: 1.297 local terms energy: -226.994881 where: bonds (distance) C4'-P energy: -51.930 bonds (distance) P-C4' energy: -54.970 flat angles C4'-P-C4' energy: -54.024 flat angles P-C4'-P energy: -26.750 tors. eta vs tors. theta energy: -39.321 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: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -458.849849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.849849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.849849 (E_RNA) where: Base-Base interactions energy: -252.161 where: short stacking energy: -153.716 Base-Backbone interact. energy: -1.445 local terms energy: -205.243436 where: bonds (distance) C4'-P energy: -55.699 bonds (distance) P-C4' energy: -55.824 flat angles C4'-P-C4' energy: -47.740 flat angles P-C4'-P energy: -26.399 tors. eta vs tors. theta energy: -19.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -268.481315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.481315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.481315 (E_RNA) where: Base-Base interactions energy: -102.644 where: short stacking energy: -88.590 Base-Backbone interact. energy: -0.535 local terms energy: -165.302449 where: bonds (distance) C4'-P energy: -57.787 bonds (distance) P-C4' energy: -46.589 flat angles C4'-P-C4' energy: -39.470 flat angles P-C4'-P energy: -29.592 tors. eta vs tors. theta energy: 8.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1065.711277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.711277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.711277 (E_RNA) where: Base-Base interactions energy: -724.429 where: short stacking energy: -325.422 Base-Backbone interact. energy: -1.547 local terms energy: -339.734944 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -71.931 flat angles P-C4'-P energy: -44.543 tors. eta vs tors. theta energy: -89.495 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: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1010.640650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.640650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.640650 (E_RNA) where: Base-Base interactions energy: -677.058 where: short stacking energy: -305.886 Base-Backbone interact. energy: 1.367 local terms energy: -334.950011 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -71.478 flat angles P-C4'-P energy: -40.310 tors. eta vs tors. theta energy: -88.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -963.943617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.943617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.943617 (E_RNA) where: Base-Base interactions energy: -665.690 where: short stacking energy: -284.040 Base-Backbone interact. energy: -2.392 local terms energy: -295.862452 where: bonds (distance) C4'-P energy: -53.417 bonds (distance) P-C4' energy: -62.829 flat angles C4'-P-C4' energy: -55.272 flat angles P-C4'-P energy: -46.141 tors. eta vs tors. theta energy: -78.204 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: 323 Temperature: 1.050000 Total energy: -892.438875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.438875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.438875 (E_RNA) where: Base-Base interactions energy: -582.986 where: short stacking energy: -279.265 Base-Backbone interact. energy: -0.862 local terms energy: -308.590843 where: bonds (distance) C4'-P energy: -58.638 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -56.567 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: -81.227 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: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -826.875602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.875602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.875602 (E_RNA) where: Base-Base interactions energy: -519.193 where: short stacking energy: -234.882 Base-Backbone interact. energy: 0.227 local terms energy: -307.909604 where: bonds (distance) C4'-P energy: -62.885 bonds (distance) P-C4' energy: -64.371 flat angles C4'-P-C4' energy: -70.005 flat angles P-C4'-P energy: -36.441 tors. eta vs tors. theta energy: -74.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -717.808369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.808369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.808369 (E_RNA) where: Base-Base interactions energy: -459.537 where: short stacking energy: -227.116 Base-Backbone interact. energy: 0.747 local terms energy: -259.019236 where: bonds (distance) C4'-P energy: -53.060 bonds (distance) P-C4' energy: -45.528 flat angles C4'-P-C4' energy: -60.846 flat angles P-C4'-P energy: -38.397 tors. eta vs tors. theta energy: -61.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -754.959329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.959329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.959329 (E_RNA) where: Base-Base interactions energy: -469.237 where: short stacking energy: -217.225 Base-Backbone interact. energy: -0.155 local terms energy: -285.566894 where: bonds (distance) C4'-P energy: -55.026 bonds (distance) P-C4' energy: -62.484 flat angles C4'-P-C4' energy: -64.514 flat angles P-C4'-P energy: -46.403 tors. eta vs tors. theta energy: -57.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -525.704866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.704866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.704866 (E_RNA) where: Base-Base interactions energy: -302.536 where: short stacking energy: -136.403 Base-Backbone interact. energy: -0.163 local terms energy: -223.005499 where: bonds (distance) C4'-P energy: -53.222 bonds (distance) P-C4' energy: -47.946 flat angles C4'-P-C4' energy: -55.788 flat angles P-C4'-P energy: -42.598 tors. eta vs tors. theta energy: -23.451 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: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -516.376374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.376374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.376374 (E_RNA) where: Base-Base interactions energy: -307.635 where: short stacking energy: -154.972 Base-Backbone interact. energy: -0.941 local terms energy: -207.800092 where: bonds (distance) C4'-P energy: -52.775 bonds (distance) P-C4' energy: -46.275 flat angles C4'-P-C4' energy: -56.360 flat angles P-C4'-P energy: -23.644 tors. eta vs tors. theta energy: -28.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -267.723075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.723075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.723075 (E_RNA) where: Base-Base interactions energy: -91.133 where: short stacking energy: -66.163 Base-Backbone interact. energy: 1.376 local terms energy: -177.965508 where: bonds (distance) C4'-P energy: -60.895 bonds (distance) P-C4' energy: -49.546 flat angles C4'-P-C4' energy: -58.398 flat angles P-C4'-P energy: -23.679 tors. eta vs tors. theta energy: 14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1080.097430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.097430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.097430 (E_RNA) where: Base-Base interactions energy: -746.809 where: short stacking energy: -325.901 Base-Backbone interact. energy: -2.896 local terms energy: -330.392316 where: bonds (distance) C4'-P energy: -65.847 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -47.783 tors. eta vs tors. theta energy: -85.687 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: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1024.814926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.814926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.814926 (E_RNA) where: Base-Base interactions energy: -693.921 where: short stacking energy: -286.276 Base-Backbone interact. energy: -0.362 local terms energy: -330.532045 where: bonds (distance) C4'-P energy: -62.133 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -71.831 flat angles P-C4'-P energy: -45.321 tors. eta vs tors. theta energy: -81.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -955.244018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.244018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.244018 (E_RNA) where: Base-Base interactions energy: -649.225 where: short stacking energy: -277.746 Base-Backbone interact. energy: 0.068 local terms energy: -306.086752 where: bonds (distance) C4'-P energy: -58.249 bonds (distance) P-C4' energy: -57.987 flat angles C4'-P-C4' energy: -62.743 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: -78.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -928.645156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.645156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.645156 (E_RNA) where: Base-Base interactions energy: -615.680 where: short stacking energy: -286.595 Base-Backbone interact. energy: -1.385 local terms energy: -311.580462 where: bonds (distance) C4'-P energy: -61.506 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -61.247 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -86.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -813.117579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.117579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.117579 (E_RNA) where: Base-Base interactions energy: -529.490 where: short stacking energy: -236.313 Base-Backbone interact. energy: -1.620 local terms energy: -282.007926 where: bonds (distance) C4'-P energy: -64.504 bonds (distance) P-C4' energy: -58.920 flat angles C4'-P-C4' energy: -65.463 flat angles P-C4'-P energy: -33.269 tors. eta vs tors. theta energy: -59.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -721.664331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.664331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.664331 (E_RNA) where: Base-Base interactions energy: -452.728 where: short stacking energy: -218.793 Base-Backbone interact. energy: -1.136 local terms energy: -267.800959 where: bonds (distance) C4'-P energy: -47.991 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -62.597 flat angles P-C4'-P energy: -42.039 tors. eta vs tors. theta energy: -56.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -704.603926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.603926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.603926 (E_RNA) where: Base-Base interactions energy: -446.155 where: short stacking energy: -194.097 Base-Backbone interact. energy: 1.018 local terms energy: -259.466345 where: bonds (distance) C4'-P energy: -63.809 bonds (distance) P-C4' energy: -56.470 flat angles C4'-P-C4' energy: -49.906 flat angles P-C4'-P energy: -41.439 tors. eta vs tors. theta energy: -47.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -512.115894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.115894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.115894 (E_RNA) where: Base-Base interactions energy: -301.637 where: short stacking energy: -140.519 Base-Backbone interact. energy: -0.805 local terms energy: -209.673522 where: bonds (distance) C4'-P energy: -42.509 bonds (distance) P-C4' energy: -62.849 flat angles C4'-P-C4' energy: -43.547 flat angles P-C4'-P energy: -33.902 tors. eta vs tors. theta energy: -26.867 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: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -269.591886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.591886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.591886 (E_RNA) where: Base-Base interactions energy: -92.954 where: short stacking energy: -83.296 Base-Backbone interact. energy: -0.611 local terms energy: -176.026973 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -57.813 flat angles C4'-P-C4' energy: -48.069 flat angles P-C4'-P energy: -28.532 tors. eta vs tors. theta energy: 16.268 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: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -364.587865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.587865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.587865 (E_RNA) where: Base-Base interactions energy: -177.467 where: short stacking energy: -92.573 Base-Backbone interact. energy: -1.241 local terms energy: -185.879855 where: bonds (distance) C4'-P energy: -40.545 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -47.481 flat angles P-C4'-P energy: -28.025 tors. eta vs tors. theta energy: -8.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1079.575725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.575725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.575725 (E_RNA) where: Base-Base interactions energy: -744.845 where: short stacking energy: -344.002 Base-Backbone interact. energy: -1.369 local terms energy: -333.361915 where: bonds (distance) C4'-P energy: -60.136 bonds (distance) P-C4' energy: -63.108 flat angles C4'-P-C4' energy: -73.372 flat angles P-C4'-P energy: -45.377 tors. eta vs tors. theta energy: -91.369 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: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1047.871352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.871352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.871352 (E_RNA) where: Base-Base interactions energy: -722.798 where: short stacking energy: -323.348 Base-Backbone interact. energy: -1.461 local terms energy: -323.612636 where: bonds (distance) C4'-P energy: -54.994 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -71.275 flat angles P-C4'-P energy: -47.024 tors. eta vs tors. theta energy: -88.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -970.012817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.012817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.012817 (E_RNA) where: Base-Base interactions energy: -636.163 where: short stacking energy: -287.584 Base-Backbone interact. energy: -1.572 local terms energy: -332.277690 where: bonds (distance) C4'-P energy: -72.258 bonds (distance) P-C4' energy: -61.637 flat angles C4'-P-C4' energy: -76.928 flat angles P-C4'-P energy: -42.892 tors. eta vs tors. theta energy: -78.563 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: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -903.673206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.673206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.673206 (E_RNA) where: Base-Base interactions energy: -592.442 where: short stacking energy: -291.494 Base-Backbone interact. energy: -0.165 local terms energy: -311.065632 where: bonds (distance) C4'-P energy: -55.712 bonds (distance) P-C4' energy: -63.152 flat angles C4'-P-C4' energy: -64.982 flat angles P-C4'-P energy: -40.754 tors. eta vs tors. theta energy: -86.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -834.301464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.301464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.301464 (E_RNA) where: Base-Base interactions energy: -554.705 where: short stacking energy: -250.688 Base-Backbone interact. energy: -0.626 local terms energy: -278.970346 where: bonds (distance) C4'-P energy: -57.969 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -62.198 flat angles P-C4'-P energy: -41.704 tors. eta vs tors. theta energy: -55.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -749.920089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.920089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.920089 (E_RNA) where: Base-Base interactions energy: -468.326 where: short stacking energy: -215.933 Base-Backbone interact. energy: -1.094 local terms energy: -280.500086 where: bonds (distance) C4'-P energy: -62.045 bonds (distance) P-C4' energy: -56.342 flat angles C4'-P-C4' energy: -59.323 flat angles P-C4'-P energy: -45.777 tors. eta vs tors. theta energy: -57.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -668.524719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.524719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.524719 (E_RNA) where: Base-Base interactions energy: -414.281 where: short stacking energy: -197.115 Base-Backbone interact. energy: 2.702 local terms energy: -256.945253 where: bonds (distance) C4'-P energy: -53.702 bonds (distance) P-C4' energy: -59.922 flat angles C4'-P-C4' energy: -65.653 flat angles P-C4'-P energy: -41.602 tors. eta vs tors. theta energy: -36.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -491.221108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.221108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.221108 (E_RNA) where: Base-Base interactions energy: -299.479 where: short stacking energy: -146.036 Base-Backbone interact. energy: 2.470 local terms energy: -194.212681 where: bonds (distance) C4'-P energy: -52.816 bonds (distance) P-C4' energy: -55.850 flat angles C4'-P-C4' energy: -45.705 flat angles P-C4'-P energy: -21.662 tors. eta vs tors. theta energy: -18.181 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: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -313.725555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.725555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.725555 (E_RNA) where: Base-Base interactions energy: -119.779 where: short stacking energy: -110.641 Base-Backbone interact. energy: -0.196 local terms energy: -193.750705 where: bonds (distance) C4'-P energy: -45.807 bonds (distance) P-C4' energy: -52.888 flat angles C4'-P-C4' energy: -54.955 flat angles P-C4'-P energy: -35.733 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -313.118326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.118326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.118326 (E_RNA) where: Base-Base interactions energy: -134.375 where: short stacking energy: -76.777 Base-Backbone interact. energy: 0.985 local terms energy: -179.727835 where: bonds (distance) C4'-P energy: -56.339 bonds (distance) P-C4' energy: -56.460 flat angles C4'-P-C4' energy: -55.471 flat angles P-C4'-P energy: -19.497 tors. eta vs tors. theta energy: 8.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1080.026555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.026555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.026555 (E_RNA) where: Base-Base interactions energy: -738.525 where: short stacking energy: -340.281 Base-Backbone interact. energy: -0.740 local terms energy: -340.760864 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -71.293 flat angles C4'-P-C4' energy: -75.213 flat angles P-C4'-P energy: -48.962 tors. eta vs tors. theta energy: -88.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1044.606941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.606941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.606941 (E_RNA) where: Base-Base interactions energy: -704.267 where: short stacking energy: -307.203 Base-Backbone interact. energy: 2.641 local terms energy: -342.981010 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -77.119 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: -87.678 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: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -955.188238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.188238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.188238 (E_RNA) where: Base-Base interactions energy: -641.981 where: short stacking energy: -272.869 Base-Backbone interact. energy: 0.082 local terms energy: -313.288961 where: bonds (distance) C4'-P energy: -58.572 bonds (distance) P-C4' energy: -65.135 flat angles C4'-P-C4' energy: -64.707 flat angles P-C4'-P energy: -46.195 tors. eta vs tors. theta energy: -78.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -927.977730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.977730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.977730 (E_RNA) where: Base-Base interactions energy: -631.364 where: short stacking energy: -284.924 Base-Backbone interact. energy: 0.008 local terms energy: -296.621794 where: bonds (distance) C4'-P energy: -36.814 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -69.011 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -86.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -789.068642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.068642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.068642 (E_RNA) where: Base-Base interactions energy: -513.367 where: short stacking energy: -243.257 Base-Backbone interact. energy: -0.433 local terms energy: -275.268115 where: bonds (distance) C4'-P energy: -58.455 bonds (distance) P-C4' energy: -53.186 flat angles C4'-P-C4' energy: -61.776 flat angles P-C4'-P energy: -42.234 tors. eta vs tors. theta energy: -59.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -778.094413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.094413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.094413 (E_RNA) where: Base-Base interactions energy: -505.964 where: short stacking energy: -223.284 Base-Backbone interact. energy: -0.222 local terms energy: -271.908292 where: bonds (distance) C4'-P energy: -50.346 bonds (distance) P-C4' energy: -66.419 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -37.752 tors. eta vs tors. theta energy: -56.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -650.925630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.925630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.925630 (E_RNA) where: Base-Base interactions energy: -410.768 where: short stacking energy: -200.594 Base-Backbone interact. energy: -0.401 local terms energy: -239.756294 where: bonds (distance) C4'-P energy: -44.110 bonds (distance) P-C4' energy: -57.818 flat angles C4'-P-C4' energy: -54.803 flat angles P-C4'-P energy: -35.858 tors. eta vs tors. theta energy: -47.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -476.228226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.228226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.228226 (E_RNA) where: Base-Base interactions energy: -255.750 where: short stacking energy: -117.645 Base-Backbone interact. energy: -1.442 local terms energy: -219.035979 where: bonds (distance) C4'-P energy: -58.340 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -53.992 flat angles P-C4'-P energy: -40.427 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -354.043168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.043168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.043168 (E_RNA) where: Base-Base interactions energy: -177.466 where: short stacking energy: -118.425 Base-Backbone interact. energy: 1.670 local terms energy: -178.246671 where: bonds (distance) C4'-P energy: -36.276 bonds (distance) P-C4' energy: -54.952 flat angles C4'-P-C4' energy: -49.215 flat angles P-C4'-P energy: -27.502 tors. eta vs tors. theta energy: -10.301 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: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -294.388203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.388203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.388203 (E_RNA) where: Base-Base interactions energy: -101.565 where: short stacking energy: -78.652 Base-Backbone interact. energy: -1.919 local terms energy: -190.904616 where: bonds (distance) C4'-P energy: -40.180 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -50.437 flat angles P-C4'-P energy: -37.218 tors. eta vs tors. theta energy: -4.482 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: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1078.229552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.229552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.229552 (E_RNA) where: Base-Base interactions energy: -733.941 where: short stacking energy: -332.555 Base-Backbone interact. energy: -2.567 local terms energy: -341.720944 where: bonds (distance) C4'-P energy: -61.643 bonds (distance) P-C4' energy: -69.044 flat angles C4'-P-C4' energy: -70.610 flat angles P-C4'-P energy: -45.609 tors. eta vs tors. theta energy: -94.815 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: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1021.578343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.578343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.578343 (E_RNA) where: Base-Base interactions energy: -691.979 where: short stacking energy: -309.067 Base-Backbone interact. energy: -1.973 local terms energy: -327.626837 where: bonds (distance) C4'-P energy: -56.601 bonds (distance) P-C4' energy: -65.233 flat angles C4'-P-C4' energy: -75.287 flat angles P-C4'-P energy: -47.297 tors. eta vs tors. theta energy: -83.208 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: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -967.102258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.102258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.102258 (E_RNA) where: Base-Base interactions energy: -660.026 where: short stacking energy: -292.926 Base-Backbone interact. energy: 2.603 local terms energy: -309.679022 where: bonds (distance) C4'-P energy: -46.641 bonds (distance) P-C4' energy: -67.600 flat angles C4'-P-C4' energy: -70.075 flat angles P-C4'-P energy: -47.749 tors. eta vs tors. theta energy: -77.613 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: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -921.218237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.218237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.218237 (E_RNA) where: Base-Base interactions energy: -592.842 where: short stacking energy: -280.816 Base-Backbone interact. energy: -0.779 local terms energy: -327.596636 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -59.739 flat angles C4'-P-C4' energy: -73.880 flat angles P-C4'-P energy: -46.012 tors. eta vs tors. theta energy: -84.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -784.057484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.057484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.057484 (E_RNA) where: Base-Base interactions energy: -496.934 where: short stacking energy: -218.897 Base-Backbone interact. energy: 0.231 local terms energy: -287.354657 where: bonds (distance) C4'-P energy: -56.800 bonds (distance) P-C4' energy: -59.857 flat angles C4'-P-C4' energy: -65.423 flat angles P-C4'-P energy: -47.738 tors. eta vs tors. theta energy: -57.538 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: 6, replica: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -788.972393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.972393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.972393 (E_RNA) where: Base-Base interactions energy: -519.929 where: short stacking energy: -231.293 Base-Backbone interact. energy: -0.803 local terms energy: -268.241108 where: bonds (distance) C4'-P energy: -48.155 bonds (distance) P-C4' energy: -62.957 flat angles C4'-P-C4' energy: -62.187 flat angles P-C4'-P energy: -45.793 tors. eta vs tors. theta energy: -49.150 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: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -691.494222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.494222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.494222 (E_RNA) where: Base-Base interactions energy: -438.900 where: short stacking energy: -204.520 Base-Backbone interact. energy: -0.463 local terms energy: -252.131526 where: bonds (distance) C4'-P energy: -58.284 bonds (distance) P-C4' energy: -50.447 flat angles C4'-P-C4' energy: -48.511 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -55.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -505.573991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.573991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.573991 (E_RNA) where: Base-Base interactions energy: -294.146 where: short stacking energy: -149.155 Base-Backbone interact. energy: -1.824 local terms energy: -209.604239 where: bonds (distance) C4'-P energy: -52.190 bonds (distance) P-C4' energy: -53.615 flat angles C4'-P-C4' energy: -52.660 flat angles P-C4'-P energy: -31.483 tors. eta vs tors. theta energy: -19.656 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: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -352.520275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.520275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.520275 (E_RNA) where: Base-Base interactions energy: -144.435 where: short stacking energy: -111.399 Base-Backbone interact. energy: -2.363 local terms energy: -205.722351 where: bonds (distance) C4'-P energy: -65.332 bonds (distance) P-C4' energy: -59.631 flat angles C4'-P-C4' energy: -44.637 flat angles P-C4'-P energy: -24.658 tors. eta vs tors. theta energy: -11.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -273.438815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.438815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.438815 (E_RNA) where: Base-Base interactions energy: -97.995 where: short stacking energy: -82.042 Base-Backbone interact. energy: -0.134 local terms energy: -175.309762 where: bonds (distance) C4'-P energy: -49.206 bonds (distance) P-C4' energy: -50.948 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -20.972 tors. eta vs tors. theta energy: 2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1075.212768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.212768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.212768 (E_RNA) where: Base-Base interactions energy: -741.348 where: short stacking energy: -315.999 Base-Backbone interact. energy: -2.690 local terms energy: -331.175350 where: bonds (distance) C4'-P energy: -66.280 bonds (distance) P-C4' energy: -61.605 flat angles C4'-P-C4' energy: -70.386 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -85.008 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: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1033.764040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.764040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.764040 (E_RNA) where: Base-Base interactions energy: -695.853 where: short stacking energy: -306.104 Base-Backbone interact. energy: -1.036 local terms energy: -336.874579 where: bonds (distance) C4'-P energy: -70.370 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -71.673 flat angles P-C4'-P energy: -42.892 tors. eta vs tors. theta energy: -88.950 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: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -983.936505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.936505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.936505 (E_RNA) where: Base-Base interactions energy: -658.981 where: short stacking energy: -300.821 Base-Backbone interact. energy: 2.967 local terms energy: -327.922879 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -67.100 flat angles C4'-P-C4' energy: -72.932 flat angles P-C4'-P energy: -40.752 tors. eta vs tors. theta energy: -77.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -953.048345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.048345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.048345 (E_RNA) where: Base-Base interactions energy: -617.519 where: short stacking energy: -286.792 Base-Backbone interact. energy: -0.687 local terms energy: -334.841642 where: bonds (distance) C4'-P energy: -60.791 bonds (distance) P-C4' energy: -64.148 flat angles C4'-P-C4' energy: -70.655 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -88.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -803.686800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.686800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.686800 (E_RNA) where: Base-Base interactions energy: -539.299 where: short stacking energy: -249.637 Base-Backbone interact. energy: -0.379 local terms energy: -264.009364 where: bonds (distance) C4'-P energy: -54.479 bonds (distance) P-C4' energy: -56.719 flat angles C4'-P-C4' energy: -56.263 flat angles P-C4'-P energy: -34.304 tors. eta vs tors. theta energy: -62.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -745.289035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.289035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.289035 (E_RNA) where: Base-Base interactions energy: -475.077 where: short stacking energy: -225.310 Base-Backbone interact. energy: -1.480 local terms energy: -268.731635 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -55.706 flat angles C4'-P-C4' energy: -62.570 flat angles P-C4'-P energy: -35.734 tors. eta vs tors. theta energy: -49.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -695.444343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.444343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.444343 (E_RNA) where: Base-Base interactions energy: -451.365 where: short stacking energy: -213.008 Base-Backbone interact. energy: -0.776 local terms energy: -243.303656 where: bonds (distance) C4'-P energy: -55.017 bonds (distance) P-C4' energy: -53.866 flat angles C4'-P-C4' energy: -59.907 flat angles P-C4'-P energy: -24.628 tors. eta vs tors. theta energy: -49.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -499.967615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.967615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.967615 (E_RNA) where: Base-Base interactions energy: -267.118 where: short stacking energy: -132.786 Base-Backbone interact. energy: -2.187 local terms energy: -230.662431 where: bonds (distance) C4'-P energy: -50.087 bonds (distance) P-C4' energy: -63.087 flat angles C4'-P-C4' energy: -50.258 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -20.691 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: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -334.751811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.751811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.751811 (E_RNA) where: Base-Base interactions energy: -148.391 where: short stacking energy: -98.743 Base-Backbone interact. energy: -1.329 local terms energy: -185.031884 where: bonds (distance) C4'-P energy: -55.969 bonds (distance) P-C4' energy: -52.209 flat angles C4'-P-C4' energy: -50.751 flat angles P-C4'-P energy: -16.921 tors. eta vs tors. theta energy: -9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -256.471530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.471530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.471530 (E_RNA) where: Base-Base interactions energy: -82.638 where: short stacking energy: -74.307 Base-Backbone interact. energy: 1.259 local terms energy: -175.093027 where: bonds (distance) C4'-P energy: -55.482 bonds (distance) P-C4' energy: -39.382 flat angles C4'-P-C4' energy: -44.645 flat angles P-C4'-P energy: -35.390 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1071.014367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.014367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.014367 (E_RNA) where: Base-Base interactions energy: -733.658 where: short stacking energy: -321.098 Base-Backbone interact. energy: -1.819 local terms energy: -335.537141 where: bonds (distance) C4'-P energy: -58.317 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -73.838 flat angles P-C4'-P energy: -47.722 tors. eta vs tors. theta energy: -88.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1004.495942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.495942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.495942 (E_RNA) where: Base-Base interactions energy: -671.053 where: short stacking energy: -309.011 Base-Backbone interact. energy: -1.480 local terms energy: -331.962857 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -55.377 flat angles C4'-P-C4' energy: -69.760 flat angles P-C4'-P energy: -46.299 tors. eta vs tors. theta energy: -87.732 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: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1029.530155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.530155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.530155 (E_RNA) where: Base-Base interactions energy: -694.731 where: short stacking energy: -302.242 Base-Backbone interact. energy: -1.458 local terms energy: -333.341279 where: bonds (distance) C4'-P energy: -60.206 bonds (distance) P-C4' energy: -63.553 flat angles C4'-P-C4' energy: -71.782 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -91.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -945.884719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.884719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.884719 (E_RNA) where: Base-Base interactions energy: -624.909 where: short stacking energy: -295.154 Base-Backbone interact. energy: -2.095 local terms energy: -318.880188 where: bonds (distance) C4'-P energy: -64.706 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -52.499 tors. eta vs tors. theta energy: -80.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -814.988907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.988907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.988907 (E_RNA) where: Base-Base interactions energy: -535.344 where: short stacking energy: -237.977 Base-Backbone interact. energy: -1.233 local terms energy: -278.412513 where: bonds (distance) C4'-P energy: -64.830 bonds (distance) P-C4' energy: -47.388 flat angles C4'-P-C4' energy: -58.057 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -56.616 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: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -744.018760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.018760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.018760 (E_RNA) where: Base-Base interactions energy: -459.847 where: short stacking energy: -210.073 Base-Backbone interact. energy: -0.700 local terms energy: -283.472526 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -55.915 flat angles C4'-P-C4' energy: -56.976 flat angles P-C4'-P energy: -52.136 tors. eta vs tors. theta energy: -58.881 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: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -668.850346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.850346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.850346 (E_RNA) where: Base-Base interactions energy: -443.127 where: short stacking energy: -194.531 Base-Backbone interact. energy: -0.532 local terms energy: -225.191499 where: bonds (distance) C4'-P energy: -47.924 bonds (distance) P-C4' energy: -56.353 flat angles C4'-P-C4' energy: -54.729 flat angles P-C4'-P energy: -27.632 tors. eta vs tors. theta energy: -38.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -470.854421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.854421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.854421 (E_RNA) where: Base-Base interactions energy: -271.533 where: short stacking energy: -130.788 Base-Backbone interact. energy: 0.922 local terms energy: -200.243653 where: bonds (distance) C4'-P energy: -50.035 bonds (distance) P-C4' energy: -51.896 flat angles C4'-P-C4' energy: -41.067 flat angles P-C4'-P energy: -38.070 tors. eta vs tors. theta energy: -19.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -346.619783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.619783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.619783 (E_RNA) where: Base-Base interactions energy: -189.799 where: short stacking energy: -110.592 Base-Backbone interact. energy: -0.395 local terms energy: -156.425532 where: bonds (distance) C4'-P energy: -41.176 bonds (distance) P-C4' energy: -53.801 flat angles C4'-P-C4' energy: -36.045 flat angles P-C4'-P energy: -18.855 tors. eta vs tors. theta energy: -6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -253.907025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.907025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.907025 (E_RNA) where: Base-Base interactions energy: -73.016 where: short stacking energy: -66.196 Base-Backbone interact. energy: 2.568 local terms energy: -183.458673 where: bonds (distance) C4'-P energy: -62.051 bonds (distance) P-C4' energy: -58.292 flat angles C4'-P-C4' energy: -45.496 flat angles P-C4'-P energy: -19.188 tors. eta vs tors. theta energy: 1.568 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: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1072.152328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.152328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.152328 (E_RNA) where: Base-Base interactions energy: -742.286 where: short stacking energy: -328.838 Base-Backbone interact. energy: -1.563 local terms energy: -328.303708 where: bonds (distance) C4'-P energy: -62.396 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -67.345 flat angles P-C4'-P energy: -51.109 tors. eta vs tors. theta energy: -91.237 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: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -994.506294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.506294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.506294 (E_RNA) where: Base-Base interactions energy: -667.629 where: short stacking energy: -305.629 Base-Backbone interact. energy: -0.090 local terms energy: -326.787946 where: bonds (distance) C4'-P energy: -62.286 bonds (distance) P-C4' energy: -61.963 flat angles C4'-P-C4' energy: -70.580 flat angles P-C4'-P energy: -45.041 tors. eta vs tors. theta energy: -86.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -969.211871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.211871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.211871 (E_RNA) where: Base-Base interactions energy: -646.844 where: short stacking energy: -289.427 Base-Backbone interact. energy: 2.012 local terms energy: -324.379869 where: bonds (distance) C4'-P energy: -60.683 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -65.177 flat angles P-C4'-P energy: -52.680 tors. eta vs tors. theta energy: -83.397 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: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -982.007790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.007790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.007790 (E_RNA) where: Base-Base interactions energy: -670.270 where: short stacking energy: -275.639 Base-Backbone interact. energy: -1.110 local terms energy: -310.628043 where: bonds (distance) C4'-P energy: -55.675 bonds (distance) P-C4' energy: -67.839 flat angles C4'-P-C4' energy: -67.405 flat angles P-C4'-P energy: -49.088 tors. eta vs tors. theta energy: -70.621 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: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -816.251882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.251882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.251882 (E_RNA) where: Base-Base interactions energy: -541.861 where: short stacking energy: -245.976 Base-Backbone interact. energy: -1.796 local terms energy: -272.595057 where: bonds (distance) C4'-P energy: -53.651 bonds (distance) P-C4' energy: -54.136 flat angles C4'-P-C4' energy: -55.906 flat angles P-C4'-P energy: -41.356 tors. eta vs tors. theta energy: -67.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -742.585691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.585691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.585691 (E_RNA) where: Base-Base interactions energy: -476.850 where: short stacking energy: -215.884 Base-Backbone interact. energy: 0.188 local terms energy: -265.923006 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -60.815 flat angles C4'-P-C4' energy: -60.539 flat angles P-C4'-P energy: -37.492 tors. eta vs tors. theta energy: -52.821 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: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -707.282607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.282607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.282607 (E_RNA) where: Base-Base interactions energy: -449.398 where: short stacking energy: -186.105 Base-Backbone interact. energy: 0.162 local terms energy: -258.047051 where: bonds (distance) C4'-P energy: -55.068 bonds (distance) P-C4' energy: -59.419 flat angles C4'-P-C4' energy: -51.024 flat angles P-C4'-P energy: -38.349 tors. eta vs tors. theta energy: -54.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -481.508832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.508832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.508832 (E_RNA) where: Base-Base interactions energy: -279.351 where: short stacking energy: -152.142 Base-Backbone interact. energy: 0.460 local terms energy: -202.617891 where: bonds (distance) C4'-P energy: -52.084 bonds (distance) P-C4' energy: -45.230 flat angles C4'-P-C4' energy: -48.957 flat angles P-C4'-P energy: -36.440 tors. eta vs tors. theta energy: -19.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -305.207437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.207437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.207437 (E_RNA) where: Base-Base interactions energy: -120.614 where: short stacking energy: -80.687 Base-Backbone interact. energy: -1.117 local terms energy: -183.476752 where: bonds (distance) C4'-P energy: -44.734 bonds (distance) P-C4' energy: -59.898 flat angles C4'-P-C4' energy: -44.889 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: 4.921 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: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -317.669672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.669672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.669672 (E_RNA) where: Base-Base interactions energy: -123.996 where: short stacking energy: -69.402 Base-Backbone interact. energy: -1.226 local terms energy: -192.448380 where: bonds (distance) C4'-P energy: -66.536 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -45.054 flat angles P-C4'-P energy: -34.026 tors. eta vs tors. theta energy: 9.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1084.058915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.058915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.058915 (E_RNA) where: Base-Base interactions energy: -749.193 where: short stacking energy: -337.050 Base-Backbone interact. energy: -2.446 local terms energy: -332.419621 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -62.939 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -47.314 tors. eta vs tors. theta energy: -91.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1001.022217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.022217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.022217 (E_RNA) where: Base-Base interactions energy: -670.788 where: short stacking energy: -308.746 Base-Backbone interact. energy: -2.289 local terms energy: -327.945199 where: bonds (distance) C4'-P energy: -64.536 bonds (distance) P-C4' energy: -63.270 flat angles C4'-P-C4' energy: -75.001 flat angles P-C4'-P energy: -48.051 tors. eta vs tors. theta energy: -77.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -932.770055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.770055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.770055 (E_RNA) where: Base-Base interactions energy: -622.786 where: short stacking energy: -280.858 Base-Backbone interact. energy: -1.154 local terms energy: -308.830434 where: bonds (distance) C4'-P energy: -64.252 bonds (distance) P-C4' energy: -53.450 flat angles C4'-P-C4' energy: -70.697 flat angles P-C4'-P energy: -38.357 tors. eta vs tors. theta energy: -82.074 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: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -958.215645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.215645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.215645 (E_RNA) where: Base-Base interactions energy: -663.725 where: short stacking energy: -271.988 Base-Backbone interact. energy: -0.192 local terms energy: -294.298516 where: bonds (distance) C4'-P energy: -61.504 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -53.551 flat angles P-C4'-P energy: -36.484 tors. eta vs tors. theta energy: -81.929 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: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -835.340245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.340245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.340245 (E_RNA) where: Base-Base interactions energy: -537.540 where: short stacking energy: -257.187 Base-Backbone interact. energy: -0.420 local terms energy: -297.380357 where: bonds (distance) C4'-P energy: -57.731 bonds (distance) P-C4' energy: -63.013 flat angles C4'-P-C4' energy: -66.449 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: -67.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -779.333679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.333679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.333679 (E_RNA) where: Base-Base interactions energy: -502.789 where: short stacking energy: -233.076 Base-Backbone interact. energy: -0.690 local terms energy: -275.855232 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -63.477 flat angles C4'-P-C4' energy: -54.572 flat angles P-C4'-P energy: -33.987 tors. eta vs tors. theta energy: -70.870 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: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -719.938206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.938206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.938206 (E_RNA) where: Base-Base interactions energy: -475.977 where: short stacking energy: -208.463 Base-Backbone interact. energy: 2.069 local terms energy: -246.029728 where: bonds (distance) C4'-P energy: -52.164 bonds (distance) P-C4' energy: -50.924 flat angles C4'-P-C4' energy: -45.640 flat angles P-C4'-P energy: -44.385 tors. eta vs tors. theta energy: -52.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -552.554658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.554658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.554658 (E_RNA) where: Base-Base interactions energy: -335.515 where: short stacking energy: -153.778 Base-Backbone interact. energy: 2.335 local terms energy: -219.374946 where: bonds (distance) C4'-P energy: -57.799 bonds (distance) P-C4' energy: -53.341 flat angles C4'-P-C4' energy: -52.922 flat angles P-C4'-P energy: -37.863 tors. eta vs tors. theta energy: -17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -282.278754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.278754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.278754 (E_RNA) where: Base-Base interactions energy: -110.687 where: short stacking energy: -92.064 Base-Backbone interact. energy: 1.482 local terms energy: -173.074088 where: bonds (distance) C4'-P energy: -47.957 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -40.093 flat angles P-C4'-P energy: -33.032 tors. eta vs tors. theta energy: 5.068 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: 10, replica: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -293.237752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.237752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.237752 (E_RNA) where: Base-Base interactions energy: -126.806 where: short stacking energy: -89.627 Base-Backbone interact. energy: 2.691 local terms energy: -169.123543 where: bonds (distance) C4'-P energy: -48.442 bonds (distance) P-C4' energy: -54.251 flat angles C4'-P-C4' energy: -52.065 flat angles P-C4'-P energy: -22.565 tors. eta vs tors. theta energy: 8.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1073.107933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.107933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.107933 (E_RNA) where: Base-Base interactions energy: -745.036 where: short stacking energy: -324.896 Base-Backbone interact. energy: -2.147 local terms energy: -325.924981 where: bonds (distance) C4'-P energy: -57.803 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -65.011 flat angles P-C4'-P energy: -46.456 tors. eta vs tors. theta energy: -93.557 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: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1004.592689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.592689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.592689 (E_RNA) where: Base-Base interactions energy: -677.993 where: short stacking energy: -297.176 Base-Backbone interact. energy: -1.029 local terms energy: -325.570044 where: bonds (distance) C4'-P energy: -58.936 bonds (distance) P-C4' energy: -62.269 flat angles C4'-P-C4' energy: -72.478 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: -85.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -994.414331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.414331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.414331 (E_RNA) where: Base-Base interactions energy: -678.520 where: short stacking energy: -291.163 Base-Backbone interact. energy: -1.809 local terms energy: -314.084709 where: bonds (distance) C4'-P energy: -55.192 bonds (distance) P-C4' energy: -69.660 flat angles C4'-P-C4' energy: -63.506 flat angles P-C4'-P energy: -47.890 tors. eta vs tors. theta energy: -77.836 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: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -915.694858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.694858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.694858 (E_RNA) where: Base-Base interactions energy: -607.846 where: short stacking energy: -278.265 Base-Backbone interact. energy: -2.269 local terms energy: -305.579848 where: bonds (distance) C4'-P energy: -69.011 bonds (distance) P-C4' energy: -57.203 flat angles C4'-P-C4' energy: -59.591 flat angles P-C4'-P energy: -41.107 tors. eta vs tors. theta energy: -78.668 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: 332 Temperature: 1.100000 Total energy: -805.873192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.873192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.873192 (E_RNA) where: Base-Base interactions energy: -518.594 where: short stacking energy: -239.757 Base-Backbone interact. energy: -0.746 local terms energy: -286.532996 where: bonds (distance) C4'-P energy: -45.190 bonds (distance) P-C4' energy: -61.740 flat angles C4'-P-C4' energy: -70.722 flat angles P-C4'-P energy: -47.731 tors. eta vs tors. theta energy: -61.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -789.876870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.876870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.876870 (E_RNA) where: Base-Base interactions energy: -512.526 where: short stacking energy: -219.510 Base-Backbone interact. energy: 0.479 local terms energy: -277.829672 where: bonds (distance) C4'-P energy: -62.069 bonds (distance) P-C4' energy: -62.642 flat angles C4'-P-C4' energy: -57.189 flat angles P-C4'-P energy: -44.337 tors. eta vs tors. theta energy: -51.593 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: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -781.939653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.939653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.939653 (E_RNA) where: Base-Base interactions energy: -505.991 where: short stacking energy: -239.484 Base-Backbone interact. energy: -0.848 local terms energy: -275.100706 where: bonds (distance) C4'-P energy: -45.401 bonds (distance) P-C4' energy: -55.392 flat angles C4'-P-C4' energy: -66.201 flat angles P-C4'-P energy: -37.679 tors. eta vs tors. theta energy: -70.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -513.116229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.116229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.116229 (E_RNA) where: Base-Base interactions energy: -304.165 where: short stacking energy: -138.798 Base-Backbone interact. energy: 0.522 local terms energy: -209.473539 where: bonds (distance) C4'-P energy: -43.307 bonds (distance) P-C4' energy: -54.454 flat angles C4'-P-C4' energy: -59.709 flat angles P-C4'-P energy: -31.487 tors. eta vs tors. theta energy: -20.516 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: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -284.404305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.404305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.404305 (E_RNA) where: Base-Base interactions energy: -102.476 where: short stacking energy: -94.905 Base-Backbone interact. energy: -0.619 local terms energy: -181.310147 where: bonds (distance) C4'-P energy: -43.789 bonds (distance) P-C4' energy: -55.862 flat angles C4'-P-C4' energy: -48.921 flat angles P-C4'-P energy: -37.496 tors. eta vs tors. theta energy: 4.757 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: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -265.222775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.222775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.222775 (E_RNA) where: Base-Base interactions energy: -96.256 where: short stacking energy: -67.403 Base-Backbone interact. energy: -2.003 local terms energy: -166.963833 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -64.600 flat angles C4'-P-C4' energy: -41.349 flat angles P-C4'-P energy: -26.693 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: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1069.391417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.391417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.391417 (E_RNA) where: Base-Base interactions energy: -746.002 where: short stacking energy: -321.712 Base-Backbone interact. energy: -0.656 local terms energy: -322.734021 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -55.049 flat angles C4'-P-C4' energy: -68.541 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -99.019 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: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1012.155832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.155832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.155832 (E_RNA) where: Base-Base interactions energy: -676.519 where: short stacking energy: -305.705 Base-Backbone interact. energy: 0.066 local terms energy: -335.703373 where: bonds (distance) C4'-P energy: -67.381 bonds (distance) P-C4' energy: -70.667 flat angles C4'-P-C4' energy: -67.141 flat angles P-C4'-P energy: -47.783 tors. eta vs tors. theta energy: -82.731 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: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -991.519591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.519591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.519591 (E_RNA) where: Base-Base interactions energy: -691.310 where: short stacking energy: -307.785 Base-Backbone interact. energy: -0.630 local terms energy: -299.579803 where: bonds (distance) C4'-P energy: -46.516 bonds (distance) P-C4' energy: -59.544 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -36.937 tors. eta vs tors. theta energy: -94.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -916.241766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.241766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.241766 (E_RNA) where: Base-Base interactions energy: -607.454 where: short stacking energy: -280.332 Base-Backbone interact. energy: 0.622 local terms energy: -309.409760 where: bonds (distance) C4'-P energy: -57.323 bonds (distance) P-C4' energy: -54.753 flat angles C4'-P-C4' energy: -68.507 flat angles P-C4'-P energy: -45.594 tors. eta vs tors. theta energy: -83.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -819.143771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.143771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.143771 (E_RNA) where: Base-Base interactions energy: -525.920 where: short stacking energy: -248.213 Base-Backbone interact. energy: -1.851 local terms energy: -291.372682 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -52.247 flat angles C4'-P-C4' energy: -66.061 flat angles P-C4'-P energy: -36.602 tors. eta vs tors. theta energy: -74.811 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: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -771.179572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.179572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.179572 (E_RNA) where: Base-Base interactions energy: -508.600 where: short stacking energy: -231.813 Base-Backbone interact. energy: -1.607 local terms energy: -260.972283 where: bonds (distance) C4'-P energy: -46.389 bonds (distance) P-C4' energy: -57.855 flat angles C4'-P-C4' energy: -57.764 flat angles P-C4'-P energy: -45.785 tors. eta vs tors. theta energy: -53.178 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: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -750.564910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.564910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.564910 (E_RNA) where: Base-Base interactions energy: -522.753 where: short stacking energy: -215.182 Base-Backbone interact. energy: -3.004 local terms energy: -224.808216 where: bonds (distance) C4'-P energy: -45.582 bonds (distance) P-C4' energy: -42.856 flat angles C4'-P-C4' energy: -56.884 flat angles P-C4'-P energy: -36.453 tors. eta vs tors. theta energy: -43.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -511.185523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.185523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.185523 (E_RNA) where: Base-Base interactions energy: -303.408 where: short stacking energy: -154.666 Base-Backbone interact. energy: -1.242 local terms energy: -206.534582 where: bonds (distance) C4'-P energy: -38.319 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -45.708 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -22.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -306.534159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.534159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.534159 (E_RNA) where: Base-Base interactions energy: -119.776 where: short stacking energy: -99.143 Base-Backbone interact. energy: -0.700 local terms energy: -186.058197 where: bonds (distance) C4'-P energy: -58.085 bonds (distance) P-C4' energy: -54.622 flat angles C4'-P-C4' energy: -40.935 flat angles P-C4'-P energy: -20.662 tors. eta vs tors. theta energy: -11.752 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: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -269.533758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.533758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.533758 (E_RNA) where: Base-Base interactions energy: -98.193 where: short stacking energy: -88.370 Base-Backbone interact. energy: 0.937 local terms energy: -172.277770 where: bonds (distance) C4'-P energy: -43.237 bonds (distance) P-C4' energy: -54.396 flat angles C4'-P-C4' energy: -34.350 flat angles P-C4'-P energy: -30.603 tors. eta vs tors. theta energy: -9.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1066.410947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.410947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.410947 (E_RNA) where: Base-Base interactions energy: -728.585 where: short stacking energy: -313.400 Base-Backbone interact. energy: -1.092 local terms energy: -336.733918 where: bonds (distance) C4'-P energy: -63.419 bonds (distance) P-C4' energy: -71.330 flat angles C4'-P-C4' energy: -73.763 flat angles P-C4'-P energy: -34.960 tors. eta vs tors. theta energy: -93.262 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: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1000.781225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.781225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.781225 (E_RNA) where: Base-Base interactions energy: -686.795 where: short stacking energy: -311.633 Base-Backbone interact. energy: 8.396 local terms energy: -322.381677 where: bonds (distance) C4'-P energy: -61.057 bonds (distance) P-C4' energy: -64.311 flat angles C4'-P-C4' energy: -69.452 flat angles P-C4'-P energy: -42.874 tors. eta vs tors. theta energy: -84.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -978.369282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.369282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.369282 (E_RNA) where: Base-Base interactions energy: -657.732 where: short stacking energy: -281.789 Base-Backbone interact. energy: -0.933 local terms energy: -319.704402 where: bonds (distance) C4'-P energy: -57.779 bonds (distance) P-C4' energy: -61.647 flat angles C4'-P-C4' energy: -73.892 flat angles P-C4'-P energy: -44.623 tors. eta vs tors. theta energy: -81.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -898.431957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.431957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.431957 (E_RNA) where: Base-Base interactions energy: -598.209 where: short stacking energy: -294.003 Base-Backbone interact. energy: -0.852 local terms energy: -299.370728 where: bonds (distance) C4'-P energy: -65.713 bonds (distance) P-C4' energy: -60.009 flat angles C4'-P-C4' energy: -58.403 flat angles P-C4'-P energy: -36.401 tors. eta vs tors. theta energy: -78.844 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: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -835.385468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.385468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.385468 (E_RNA) where: Base-Base interactions energy: -550.164 where: short stacking energy: -271.385 Base-Backbone interact. energy: -0.370 local terms energy: -284.850933 where: bonds (distance) C4'-P energy: -51.164 bonds (distance) P-C4' energy: -55.604 flat angles C4'-P-C4' energy: -64.133 flat angles P-C4'-P energy: -40.947 tors. eta vs tors. theta energy: -73.002 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: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -825.019527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.019527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.019527 (E_RNA) where: Base-Base interactions energy: -563.378 where: short stacking energy: -259.172 Base-Backbone interact. energy: -0.826 local terms energy: -260.815377 where: bonds (distance) C4'-P energy: -38.850 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -57.364 flat angles P-C4'-P energy: -30.770 tors. eta vs tors. theta energy: -72.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -781.385396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.385396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.385396 (E_RNA) where: Base-Base interactions energy: -504.919 where: short stacking energy: -232.601 Base-Backbone interact. energy: -0.221 local terms energy: -276.245494 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -59.529 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -58.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -539.147599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.147599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.147599 (E_RNA) where: Base-Base interactions energy: -333.273 where: short stacking energy: -157.721 Base-Backbone interact. energy: -1.986 local terms energy: -203.888729 where: bonds (distance) C4'-P energy: -46.821 bonds (distance) P-C4' energy: -58.082 flat angles C4'-P-C4' energy: -46.306 flat angles P-C4'-P energy: -26.153 tors. eta vs tors. theta energy: -26.528 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: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -322.751272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.751272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.751272 (E_RNA) where: Base-Base interactions energy: -158.695 where: short stacking energy: -100.712 Base-Backbone interact. energy: -0.619 local terms energy: -163.437119 where: bonds (distance) C4'-P energy: -45.249 bonds (distance) P-C4' energy: -61.698 flat angles C4'-P-C4' energy: -40.540 flat angles P-C4'-P energy: -27.348 tors. eta vs tors. theta energy: 11.398 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: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -275.449175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.449175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.449175 (E_RNA) where: Base-Base interactions energy: -87.616 where: short stacking energy: -75.392 Base-Backbone interact. energy: 0.480 local terms energy: -188.312982 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -64.220 flat angles C4'-P-C4' energy: -46.410 flat angles P-C4'-P energy: -30.387 tors. eta vs tors. theta energy: 8.389 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: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1085.066665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.066665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.066665 (E_RNA) where: Base-Base interactions energy: -738.100 where: short stacking energy: -333.528 Base-Backbone interact. energy: -3.392 local terms energy: -343.574706 where: bonds (distance) C4'-P energy: -63.361 bonds (distance) P-C4' energy: -63.316 flat angles C4'-P-C4' energy: -73.737 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: -94.786 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: 2 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -994.303546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.303546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.303546 (E_RNA) where: Base-Base interactions energy: -668.550 where: short stacking energy: -293.156 Base-Backbone interact. energy: -1.875 local terms energy: -323.878697 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -71.122 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -82.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1013.706566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.706566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.706566 (E_RNA) where: Base-Base interactions energy: -690.683 where: short stacking energy: -303.160 Base-Backbone interact. energy: -0.948 local terms energy: -322.076044 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -56.516 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -47.291 tors. eta vs tors. theta energy: -83.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -851.634244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.634244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.634244 (E_RNA) where: Base-Base interactions energy: -547.576 where: short stacking energy: -267.405 Base-Backbone interact. energy: 3.567 local terms energy: -307.625351 where: bonds (distance) C4'-P energy: -56.369 bonds (distance) P-C4' energy: -68.117 flat angles C4'-P-C4' energy: -63.656 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -75.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -887.394018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.394018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.394018 (E_RNA) where: Base-Base interactions energy: -587.374 where: short stacking energy: -265.231 Base-Backbone interact. energy: 2.905 local terms energy: -302.925415 where: bonds (distance) C4'-P energy: -56.789 bonds (distance) P-C4' energy: -63.532 flat angles C4'-P-C4' energy: -72.988 flat angles P-C4'-P energy: -38.613 tors. eta vs tors. theta energy: -71.002 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: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -830.140882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.140882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.140882 (E_RNA) where: Base-Base interactions energy: -542.636 where: short stacking energy: -222.850 Base-Backbone interact. energy: -1.275 local terms energy: -286.229570 where: bonds (distance) C4'-P energy: -58.648 bonds (distance) P-C4' energy: -58.839 flat angles C4'-P-C4' energy: -64.969 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -59.620 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: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -784.190841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.190841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.190841 (E_RNA) where: Base-Base interactions energy: -509.560 where: short stacking energy: -234.495 Base-Backbone interact. energy: -1.058 local terms energy: -273.572228 where: bonds (distance) C4'-P energy: -47.436 bonds (distance) P-C4' energy: -51.752 flat angles C4'-P-C4' energy: -61.830 flat angles P-C4'-P energy: -35.763 tors. eta vs tors. theta energy: -76.791 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: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -481.711233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.711233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.711233 (E_RNA) where: Base-Base interactions energy: -270.978 where: short stacking energy: -123.140 Base-Backbone interact. energy: -0.966 local terms energy: -209.766701 where: bonds (distance) C4'-P energy: -47.679 bonds (distance) P-C4' energy: -66.157 flat angles C4'-P-C4' energy: -52.140 flat angles P-C4'-P energy: -32.986 tors. eta vs tors. theta energy: -10.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -301.867732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.867732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.867732 (E_RNA) where: Base-Base interactions energy: -123.247 where: short stacking energy: -91.895 Base-Backbone interact. energy: -0.125 local terms energy: -178.495640 where: bonds (distance) C4'-P energy: -49.162 bonds (distance) P-C4' energy: -58.492 flat angles C4'-P-C4' energy: -39.151 flat angles P-C4'-P energy: -30.598 tors. eta vs tors. theta energy: -1.093 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: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -283.051063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.051063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.051063 (E_RNA) where: Base-Base interactions energy: -115.011 where: short stacking energy: -70.949 Base-Backbone interact. energy: -0.855 local terms energy: -167.185345 where: bonds (distance) C4'-P energy: -41.606 bonds (distance) P-C4' energy: -53.260 flat angles C4'-P-C4' energy: -50.794 flat angles P-C4'-P energy: -27.935 tors. eta vs tors. theta energy: 6.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1087.178091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.178091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.178091 (E_RNA) where: Base-Base interactions energy: -750.401 where: short stacking energy: -335.396 Base-Backbone interact. energy: -3.226 local terms energy: -333.550878 where: bonds (distance) C4'-P energy: -55.482 bonds (distance) P-C4' energy: -63.577 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -43.381 tors. eta vs tors. theta energy: -98.168 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: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -970.167011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.167011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.167011 (E_RNA) where: Base-Base interactions energy: -651.600 where: short stacking energy: -278.910 Base-Backbone interact. energy: -0.314 local terms energy: -318.252868 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -64.872 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: -79.353 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: 336 Temperature: 1.000000 Total energy: -995.805054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.805054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.805054 (E_RNA) where: Base-Base interactions energy: -658.894 where: short stacking energy: -292.062 Base-Backbone interact. energy: -1.538 local terms energy: -335.373011 where: bonds (distance) C4'-P energy: -55.789 bonds (distance) P-C4' energy: -70.440 flat angles C4'-P-C4' energy: -77.171 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -83.505 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: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -875.925191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.925191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.925191 (E_RNA) where: Base-Base interactions energy: -570.075 where: short stacking energy: -281.895 Base-Backbone interact. energy: -0.989 local terms energy: -304.860458 where: bonds (distance) C4'-P energy: -46.278 bonds (distance) P-C4' energy: -66.675 flat angles C4'-P-C4' energy: -73.453 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -73.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -886.746589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.746589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.746589 (E_RNA) where: Base-Base interactions energy: -608.370 where: short stacking energy: -282.075 Base-Backbone interact. energy: 0.729 local terms energy: -279.105288 where: bonds (distance) C4'-P energy: -51.373 bonds (distance) P-C4' energy: -49.648 flat angles C4'-P-C4' energy: -59.658 flat angles P-C4'-P energy: -40.240 tors. eta vs tors. theta energy: -78.186 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: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -861.174129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.174129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.174129 (E_RNA) where: Base-Base interactions energy: -571.540 where: short stacking energy: -271.143 Base-Backbone interact. energy: -0.256 local terms energy: -289.378311 where: bonds (distance) C4'-P energy: -52.302 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -70.963 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: -71.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -776.900567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.900567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.900567 (E_RNA) where: Base-Base interactions energy: -517.705 where: short stacking energy: -218.136 Base-Backbone interact. energy: 3.670 local terms energy: -262.865699 where: bonds (distance) C4'-P energy: -59.134 bonds (distance) P-C4' energy: -58.105 flat angles C4'-P-C4' energy: -52.896 flat angles P-C4'-P energy: -38.662 tors. eta vs tors. theta energy: -54.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -524.110069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.110069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.110069 (E_RNA) where: Base-Base interactions energy: -302.460 where: short stacking energy: -150.709 Base-Backbone interact. energy: 2.167 local terms energy: -223.816681 where: bonds (distance) C4'-P energy: -57.492 bonds (distance) P-C4' energy: -60.044 flat angles C4'-P-C4' energy: -47.708 flat angles P-C4'-P energy: -30.256 tors. eta vs tors. theta energy: -28.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -284.060718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.060718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.060718 (E_RNA) where: Base-Base interactions energy: -77.896 where: short stacking energy: -64.751 Base-Backbone interact. energy: -0.661 local terms energy: -205.503182 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -66.175 flat angles C4'-P-C4' energy: -53.090 flat angles P-C4'-P energy: -26.862 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -320.106904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.106904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.106904 (E_RNA) where: Base-Base interactions energy: -137.618 where: short stacking energy: -92.358 Base-Backbone interact. energy: -2.106 local terms energy: -180.383571 where: bonds (distance) C4'-P energy: -59.486 bonds (distance) P-C4' energy: -47.857 flat angles C4'-P-C4' energy: -42.284 flat angles P-C4'-P energy: -30.783 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: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1055.765260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.765260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.765260 (E_RNA) where: Base-Base interactions energy: -715.223 where: short stacking energy: -318.295 Base-Backbone interact. energy: -0.482 local terms energy: -340.060311 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -67.039 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -91.443 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: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1005.065131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.065131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.065131 (E_RNA) where: Base-Base interactions energy: -685.220 where: short stacking energy: -310.619 Base-Backbone interact. energy: -0.711 local terms energy: -319.134903 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -77.537 flat angles P-C4'-P energy: -44.850 tors. eta vs tors. theta energy: -83.358 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: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -954.511630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.511630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.511630 (E_RNA) where: Base-Base interactions energy: -651.738 where: short stacking energy: -278.665 Base-Backbone interact. energy: -0.608 local terms energy: -302.165502 where: bonds (distance) C4'-P energy: -61.123 bonds (distance) P-C4' energy: -62.274 flat angles C4'-P-C4' energy: -64.558 flat angles P-C4'-P energy: -36.768 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: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -902.684203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.684203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.684203 (E_RNA) where: Base-Base interactions energy: -598.877 where: short stacking energy: -289.490 Base-Backbone interact. energy: 1.341 local terms energy: -305.148353 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -65.336 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: -79.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -874.034244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.034244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.034244 (E_RNA) where: Base-Base interactions energy: -582.801 where: short stacking energy: -261.660 Base-Backbone interact. energy: 1.475 local terms energy: -292.707808 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -52.341 flat angles C4'-P-C4' energy: -69.421 flat angles P-C4'-P energy: -38.559 tors. eta vs tors. theta energy: -73.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -837.618530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.618530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.618530 (E_RNA) where: Base-Base interactions energy: -551.139 where: short stacking energy: -241.886 Base-Backbone interact. energy: -1.043 local terms energy: -285.436583 where: bonds (distance) C4'-P energy: -68.701 bonds (distance) P-C4' energy: -54.365 flat angles C4'-P-C4' energy: -66.295 flat angles P-C4'-P energy: -34.361 tors. eta vs tors. theta energy: -61.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -769.604438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.604438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.604438 (E_RNA) where: Base-Base interactions energy: -517.782 where: short stacking energy: -234.783 Base-Backbone interact. energy: -1.379 local terms energy: -250.444306 where: bonds (distance) C4'-P energy: -38.831 bonds (distance) P-C4' energy: -52.724 flat angles C4'-P-C4' energy: -62.119 flat angles P-C4'-P energy: -42.042 tors. eta vs tors. theta energy: -54.729 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: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -484.815343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.815343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.815343 (E_RNA) where: Base-Base interactions energy: -285.360 where: short stacking energy: -149.161 Base-Backbone interact. energy: -0.556 local terms energy: -198.899950 where: bonds (distance) C4'-P energy: -51.706 bonds (distance) P-C4' energy: -52.343 flat angles C4'-P-C4' energy: -56.082 flat angles P-C4'-P energy: -16.816 tors. eta vs tors. theta energy: -21.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -293.717042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.717042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.717042 (E_RNA) where: Base-Base interactions energy: -114.901 where: short stacking energy: -99.571 Base-Backbone interact. energy: 2.413 local terms energy: -181.229248 where: bonds (distance) C4'-P energy: -51.695 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -49.367 flat angles P-C4'-P energy: -17.039 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -296.572164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.572164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.572164 (E_RNA) where: Base-Base interactions energy: -131.491 where: short stacking energy: -94.577 Base-Backbone interact. energy: 1.978 local terms energy: -167.059514 where: bonds (distance) C4'-P energy: -47.875 bonds (distance) P-C4' energy: -45.342 flat angles C4'-P-C4' energy: -53.486 flat angles P-C4'-P energy: -30.127 tors. eta vs tors. theta energy: 9.770 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: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1071.576911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.576911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.576911 (E_RNA) where: Base-Base interactions energy: -734.201 where: short stacking energy: -336.277 Base-Backbone interact. energy: 1.948 local terms energy: -339.323490 where: bonds (distance) C4'-P energy: -65.797 bonds (distance) P-C4' energy: -63.483 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -87.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1020.439513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.439513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.439513 (E_RNA) where: Base-Base interactions energy: -692.188 where: short stacking energy: -303.255 Base-Backbone interact. energy: -0.608 local terms energy: -327.643136 where: bonds (distance) C4'-P energy: -62.246 bonds (distance) P-C4' energy: -68.617 flat angles C4'-P-C4' energy: -68.013 flat angles P-C4'-P energy: -44.886 tors. eta vs tors. theta energy: -83.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -907.085808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.085808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.085808 (E_RNA) where: Base-Base interactions energy: -586.911 where: short stacking energy: -284.129 Base-Backbone interact. energy: -2.010 local terms energy: -318.165059 where: bonds (distance) C4'-P energy: -54.737 bonds (distance) P-C4' energy: -66.769 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -84.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -923.563310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.563310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.563310 (E_RNA) where: Base-Base interactions energy: -602.974 where: short stacking energy: -269.976 Base-Backbone interact. energy: -2.666 local terms energy: -317.923858 where: bonds (distance) C4'-P energy: -61.017 bonds (distance) P-C4' energy: -71.097 flat angles C4'-P-C4' energy: -57.661 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -83.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -845.121533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.121533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.121533 (E_RNA) where: Base-Base interactions energy: -566.367 where: short stacking energy: -255.456 Base-Backbone interact. energy: 1.444 local terms energy: -280.198387 where: bonds (distance) C4'-P energy: -45.882 bonds (distance) P-C4' energy: -65.558 flat angles C4'-P-C4' energy: -58.305 flat angles P-C4'-P energy: -36.619 tors. eta vs tors. theta energy: -73.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -823.317232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.317232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.317232 (E_RNA) where: Base-Base interactions energy: -543.734 where: short stacking energy: -223.202 Base-Backbone interact. energy: -2.366 local terms energy: -277.216683 where: bonds (distance) C4'-P energy: -54.886 bonds (distance) P-C4' energy: -62.069 flat angles C4'-P-C4' energy: -53.350 flat angles P-C4'-P energy: -44.207 tors. eta vs tors. theta energy: -62.705 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: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -752.789404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.789404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.789404 (E_RNA) where: Base-Base interactions energy: -488.826 where: short stacking energy: -223.302 Base-Backbone interact. energy: -0.884 local terms energy: -263.079259 where: bonds (distance) C4'-P energy: -54.494 bonds (distance) P-C4' energy: -57.082 flat angles C4'-P-C4' energy: -61.988 flat angles P-C4'-P energy: -33.555 tors. eta vs tors. theta energy: -55.961 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: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -501.346820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.346820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.346820 (E_RNA) where: Base-Base interactions energy: -279.126 where: short stacking energy: -142.567 Base-Backbone interact. energy: -1.702 local terms energy: -220.518767 where: bonds (distance) C4'-P energy: -56.960 bonds (distance) P-C4' energy: -62.460 flat angles C4'-P-C4' energy: -56.214 flat angles P-C4'-P energy: -29.857 tors. eta vs tors. theta energy: -15.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -340.252154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.252154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.252154 (E_RNA) where: Base-Base interactions energy: -155.909 where: short stacking energy: -124.584 Base-Backbone interact. energy: -0.819 local terms energy: -183.524211 where: bonds (distance) C4'-P energy: -51.366 bonds (distance) P-C4' energy: -58.533 flat angles C4'-P-C4' energy: -45.593 flat angles P-C4'-P energy: -23.014 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -278.022296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.022296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.022296 (E_RNA) where: Base-Base interactions energy: -88.008 where: short stacking energy: -79.635 Base-Backbone interact. energy: -0.154 local terms energy: -189.860546 where: bonds (distance) C4'-P energy: -55.460 bonds (distance) P-C4' energy: -63.009 flat angles C4'-P-C4' energy: -46.871 flat angles P-C4'-P energy: -24.331 tors. eta vs tors. theta energy: -0.189 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: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1073.729633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.729633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.729633 (E_RNA) where: Base-Base interactions energy: -732.540 where: short stacking energy: -323.191 Base-Backbone interact. energy: -1.708 local terms energy: -339.481893 where: bonds (distance) C4'-P energy: -60.256 bonds (distance) P-C4' energy: -70.525 flat angles C4'-P-C4' energy: -63.053 flat angles P-C4'-P energy: -53.215 tors. eta vs tors. theta energy: -92.433 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: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1013.826802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.826802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.826802 (E_RNA) where: Base-Base interactions energy: -682.189 where: short stacking energy: -290.589 Base-Backbone interact. energy: -1.039 local terms energy: -330.598889 where: bonds (distance) C4'-P energy: -61.379 bonds (distance) P-C4' energy: -60.521 flat angles C4'-P-C4' energy: -77.967 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -84.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -927.642044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.642044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.642044 (E_RNA) where: Base-Base interactions energy: -616.436 where: short stacking energy: -292.281 Base-Backbone interact. energy: 1.488 local terms energy: -312.693766 where: bonds (distance) C4'-P energy: -64.959 bonds (distance) P-C4' energy: -67.941 flat angles C4'-P-C4' energy: -64.223 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: -69.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -927.449330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.449330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.449330 (E_RNA) where: Base-Base interactions energy: -631.544 where: short stacking energy: -279.731 Base-Backbone interact. energy: -0.940 local terms energy: -294.965058 where: bonds (distance) C4'-P energy: -55.219 bonds (distance) P-C4' energy: -56.411 flat angles C4'-P-C4' energy: -67.875 flat angles P-C4'-P energy: -39.636 tors. eta vs tors. theta energy: -75.824 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: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -836.280397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.280397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.280397 (E_RNA) where: Base-Base interactions energy: -563.722 where: short stacking energy: -237.573 Base-Backbone interact. energy: 2.824 local terms energy: -275.382096 where: bonds (distance) C4'-P energy: -53.403 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -55.570 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -63.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -712.577753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.577753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.577753 (E_RNA) where: Base-Base interactions energy: -432.582 where: short stacking energy: -214.447 Base-Backbone interact. energy: -1.506 local terms energy: -278.489394 where: bonds (distance) C4'-P energy: -60.338 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -62.142 flat angles P-C4'-P energy: -40.081 tors. eta vs tors. theta energy: -56.257 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: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -780.009990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.009990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.009990 (E_RNA) where: Base-Base interactions energy: -513.114 where: short stacking energy: -232.709 Base-Backbone interact. energy: -0.779 local terms energy: -266.117550 where: bonds (distance) C4'-P energy: -48.929 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -56.758 flat angles P-C4'-P energy: -35.712 tors. eta vs tors. theta energy: -63.126 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: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -498.410821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.410821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.410821 (E_RNA) where: Base-Base interactions energy: -269.243 where: short stacking energy: -134.724 Base-Backbone interact. energy: -1.551 local terms energy: -227.617031 where: bonds (distance) C4'-P energy: -49.780 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -56.000 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -25.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -331.974990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.974990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.974990 (E_RNA) where: Base-Base interactions energy: -138.889 where: short stacking energy: -98.314 Base-Backbone interact. energy: -2.328 local terms energy: -190.758191 where: bonds (distance) C4'-P energy: -53.820 bonds (distance) P-C4' energy: -49.133 flat angles C4'-P-C4' energy: -38.679 flat angles P-C4'-P energy: -39.279 tors. eta vs tors. theta energy: -9.847 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: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -260.478056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.478056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.478056 (E_RNA) where: Base-Base interactions energy: -100.295 where: short stacking energy: -66.327 Base-Backbone interact. energy: -1.012 local terms energy: -159.171497 where: bonds (distance) C4'-P energy: -52.157 bonds (distance) P-C4' energy: -62.814 flat angles C4'-P-C4' energy: -43.113 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: 9.057 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: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1104.142669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.142669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.142669 (E_RNA) where: Base-Base interactions energy: -755.656 where: short stacking energy: -331.047 Base-Backbone interact. energy: -4.330 local terms energy: -344.156586 where: bonds (distance) C4'-P energy: -71.041 bonds (distance) P-C4' energy: -68.657 flat angles C4'-P-C4' energy: -71.316 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -91.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1003.649791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.649791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.649791 (E_RNA) where: Base-Base interactions energy: -660.391 where: short stacking energy: -306.491 Base-Backbone interact. energy: -0.917 local terms energy: -342.341644 where: bonds (distance) C4'-P energy: -64.136 bonds (distance) P-C4' energy: -65.337 flat angles C4'-P-C4' energy: -72.336 flat angles P-C4'-P energy: -51.806 tors. eta vs tors. theta energy: -88.727 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: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -953.559486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.559486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.559486 (E_RNA) where: Base-Base interactions energy: -629.548 where: short stacking energy: -294.198 Base-Backbone interact. energy: -0.721 local terms energy: -323.290828 where: bonds (distance) C4'-P energy: -66.259 bonds (distance) P-C4' energy: -58.035 flat angles C4'-P-C4' energy: -70.860 flat angles P-C4'-P energy: -45.095 tors. eta vs tors. theta energy: -83.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -935.895593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.895593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.895593 (E_RNA) where: Base-Base interactions energy: -614.197 where: short stacking energy: -292.762 Base-Backbone interact. energy: -1.356 local terms energy: -320.342787 where: bonds (distance) C4'-P energy: -67.178 bonds (distance) P-C4' energy: -54.031 flat angles C4'-P-C4' energy: -68.152 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -83.579 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: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -832.545074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.545074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.545074 (E_RNA) where: Base-Base interactions energy: -558.190 where: short stacking energy: -236.625 Base-Backbone interact. energy: -0.907 local terms energy: -273.447584 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -45.400 flat angles C4'-P-C4' energy: -59.731 flat angles P-C4'-P energy: -41.041 tors. eta vs tors. theta energy: -65.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -739.758001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.758001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.758001 (E_RNA) where: Base-Base interactions energy: -469.115 where: short stacking energy: -230.485 Base-Backbone interact. energy: -2.575 local terms energy: -268.068741 where: bonds (distance) C4'-P energy: -54.770 bonds (distance) P-C4' energy: -59.066 flat angles C4'-P-C4' energy: -57.333 flat angles P-C4'-P energy: -39.697 tors. eta vs tors. theta energy: -57.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -781.904249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.904249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.904249 (E_RNA) where: Base-Base interactions energy: -505.637 where: short stacking energy: -243.338 Base-Backbone interact. energy: -0.185 local terms energy: -276.082175 where: bonds (distance) C4'-P energy: -57.408 bonds (distance) P-C4' energy: -59.361 flat angles C4'-P-C4' energy: -59.618 flat angles P-C4'-P energy: -38.416 tors. eta vs tors. theta energy: -61.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -470.427245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.427245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.427245 (E_RNA) where: Base-Base interactions energy: -264.814 where: short stacking energy: -132.327 Base-Backbone interact. energy: -0.804 local terms energy: -204.810030 where: bonds (distance) C4'-P energy: -52.378 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -39.926 flat angles P-C4'-P energy: -29.426 tors. eta vs tors. theta energy: -18.381 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: 9, replica: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -381.369491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.369491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.369491 (E_RNA) where: Base-Base interactions energy: -183.642 where: short stacking energy: -120.025 Base-Backbone interact. energy: 0.652 local terms energy: -198.379894 where: bonds (distance) C4'-P energy: -53.542 bonds (distance) P-C4' energy: -49.584 flat angles C4'-P-C4' energy: -45.916 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -11.865 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: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -273.985496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.985496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.985496 (E_RNA) where: Base-Base interactions energy: -85.288 where: short stacking energy: -76.213 Base-Backbone interact. energy: -0.077 local terms energy: -188.620860 where: bonds (distance) C4'-P energy: -54.492 bonds (distance) P-C4' energy: -58.130 flat angles C4'-P-C4' energy: -44.572 flat angles P-C4'-P energy: -31.134 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1079.672063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.672063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.672063 (E_RNA) where: Base-Base interactions energy: -743.148 where: short stacking energy: -336.491 Base-Backbone interact. energy: -2.248 local terms energy: -334.275784 where: bonds (distance) C4'-P energy: -62.117 bonds (distance) P-C4' energy: -60.522 flat angles C4'-P-C4' energy: -72.505 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -92.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1003.951014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.951014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.951014 (E_RNA) where: Base-Base interactions energy: -681.580 where: short stacking energy: -311.437 Base-Backbone interact. energy: -0.857 local terms energy: -321.513676 where: bonds (distance) C4'-P energy: -64.337 bonds (distance) P-C4' energy: -64.330 flat angles C4'-P-C4' energy: -62.761 flat angles P-C4'-P energy: -51.450 tors. eta vs tors. theta energy: -78.636 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: 3, replica: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -938.764594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.764594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.764594 (E_RNA) where: Base-Base interactions energy: -628.856 where: short stacking energy: -262.557 Base-Backbone interact. energy: -2.237 local terms energy: -307.671985 where: bonds (distance) C4'-P energy: -60.737 bonds (distance) P-C4' energy: -63.464 flat angles C4'-P-C4' energy: -69.081 flat angles P-C4'-P energy: -42.166 tors. eta vs tors. theta energy: -72.224 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: 341 Temperature: 1.050000 Total energy: -928.923212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.923212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.923212 (E_RNA) where: Base-Base interactions energy: -622.944 where: short stacking energy: -307.841 Base-Backbone interact. energy: 0.598 local terms energy: -306.577997 where: bonds (distance) C4'-P energy: -61.575 bonds (distance) P-C4' energy: -57.609 flat angles C4'-P-C4' energy: -59.655 flat angles P-C4'-P energy: -42.293 tors. eta vs tors. theta energy: -85.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -830.939589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.939589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.939589 (E_RNA) where: Base-Base interactions energy: -531.010 where: short stacking energy: -248.651 Base-Backbone interact. energy: -0.851 local terms energy: -299.078010 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -66.648 flat angles P-C4'-P energy: -42.040 tors. eta vs tors. theta energy: -65.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -809.961850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.961850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.961850 (E_RNA) where: Base-Base interactions energy: -519.168 where: short stacking energy: -256.058 Base-Backbone interact. energy: -0.404 local terms energy: -290.390164 where: bonds (distance) C4'-P energy: -59.824 bonds (distance) P-C4' energy: -66.151 flat angles C4'-P-C4' energy: -62.297 flat angles P-C4'-P energy: -26.337 tors. eta vs tors. theta energy: -75.781 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: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -709.373652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.373652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.373652 (E_RNA) where: Base-Base interactions energy: -440.599 where: short stacking energy: -215.128 Base-Backbone interact. energy: 0.038 local terms energy: -268.812306 where: bonds (distance) C4'-P energy: -53.363 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -62.508 flat angles P-C4'-P energy: -42.124 tors. eta vs tors. theta energy: -48.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -486.002036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.002036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.002036 (E_RNA) where: Base-Base interactions energy: -256.863 where: short stacking energy: -131.794 Base-Backbone interact. energy: 1.741 local terms energy: -230.879819 where: bonds (distance) C4'-P energy: -50.627 bonds (distance) P-C4' energy: -63.576 flat angles C4'-P-C4' energy: -50.698 flat angles P-C4'-P energy: -43.731 tors. eta vs tors. theta energy: -22.248 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: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -367.551748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.551748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.551748 (E_RNA) where: Base-Base interactions energy: -173.849 where: short stacking energy: -100.335 Base-Backbone interact. energy: -0.958 local terms energy: -192.745069 where: bonds (distance) C4'-P energy: -48.172 bonds (distance) P-C4' energy: -50.681 flat angles C4'-P-C4' energy: -57.007 flat angles P-C4'-P energy: -28.917 tors. eta vs tors. theta energy: -7.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -250.445102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.445102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.445102 (E_RNA) where: Base-Base interactions energy: -93.768 where: short stacking energy: -70.725 Base-Backbone interact. energy: -1.121 local terms energy: -155.556461 where: bonds (distance) C4'-P energy: -30.855 bonds (distance) P-C4' energy: -45.314 flat angles C4'-P-C4' energy: -50.840 flat angles P-C4'-P energy: -34.895 tors. eta vs tors. theta energy: 6.347 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: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1070.188795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.188795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.188795 (E_RNA) where: Base-Base interactions energy: -730.884 where: short stacking energy: -327.434 Base-Backbone interact. energy: -0.988 local terms energy: -338.316844 where: bonds (distance) C4'-P energy: -64.985 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -75.006 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -87.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1005.642271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.642271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.642271 (E_RNA) where: Base-Base interactions energy: -677.164 where: short stacking energy: -299.692 Base-Backbone interact. energy: -1.052 local terms energy: -327.426442 where: bonds (distance) C4'-P energy: -58.664 bonds (distance) P-C4' energy: -62.544 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -90.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -968.110574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.110574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.110574 (E_RNA) where: Base-Base interactions energy: -645.760 where: short stacking energy: -276.947 Base-Backbone interact. energy: 1.407 local terms energy: -323.757499 where: bonds (distance) C4'-P energy: -56.353 bonds (distance) P-C4' energy: -63.309 flat angles C4'-P-C4' energy: -72.522 flat angles P-C4'-P energy: -51.145 tors. eta vs tors. theta energy: -80.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -887.310800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.310800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.310800 (E_RNA) where: Base-Base interactions energy: -576.895 where: short stacking energy: -285.147 Base-Backbone interact. energy: 3.690 local terms energy: -314.106231 where: bonds (distance) C4'-P energy: -51.827 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -70.922 flat angles P-C4'-P energy: -52.497 tors. eta vs tors. theta energy: -74.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -809.789219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.789219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.789219 (E_RNA) where: Base-Base interactions energy: -511.075 where: short stacking energy: -236.342 Base-Backbone interact. energy: 1.137 local terms energy: -299.851732 where: bonds (distance) C4'-P energy: -58.069 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -67.401 flat angles P-C4'-P energy: -36.402 tors. eta vs tors. theta energy: -65.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -826.724504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.724504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.724504 (E_RNA) where: Base-Base interactions energy: -526.291 where: short stacking energy: -244.853 Base-Backbone interact. energy: -0.398 local terms energy: -300.034618 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -67.276 flat angles C4'-P-C4' energy: -67.939 flat angles P-C4'-P energy: -44.110 tors. eta vs tors. theta energy: -63.316 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: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -684.604708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.604708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.604708 (E_RNA) where: Base-Base interactions energy: -422.285 where: short stacking energy: -198.283 Base-Backbone interact. energy: -0.347 local terms energy: -261.972398 where: bonds (distance) C4'-P energy: -51.632 bonds (distance) P-C4' energy: -68.884 flat angles C4'-P-C4' energy: -52.254 flat angles P-C4'-P energy: -28.058 tors. eta vs tors. theta energy: -61.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -474.789164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.789164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.789164 (E_RNA) where: Base-Base interactions energy: -272.093 where: short stacking energy: -125.365 Base-Backbone interact. energy: -1.400 local terms energy: -201.296533 where: bonds (distance) C4'-P energy: -52.651 bonds (distance) P-C4' energy: -60.217 flat angles C4'-P-C4' energy: -53.943 flat angles P-C4'-P energy: -24.278 tors. eta vs tors. theta energy: -10.207 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: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -349.617079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.617079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.617079 (E_RNA) where: Base-Base interactions energy: -163.457 where: short stacking energy: -87.030 Base-Backbone interact. energy: -1.023 local terms energy: -185.137613 where: bonds (distance) C4'-P energy: -44.785 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -42.676 flat angles P-C4'-P energy: -24.933 tors. eta vs tors. theta energy: -11.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -290.706464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.706464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.706464 (E_RNA) where: Base-Base interactions energy: -103.615 where: short stacking energy: -90.935 Base-Backbone interact. energy: 0.502 local terms energy: -187.593522 where: bonds (distance) C4'-P energy: -58.170 bonds (distance) P-C4' energy: -46.295 flat angles C4'-P-C4' energy: -49.017 flat angles P-C4'-P energy: -28.233 tors. eta vs tors. theta energy: -5.879 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: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1054.979515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.979515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.979515 (E_RNA) where: Base-Base interactions energy: -724.360 where: short stacking energy: -327.191 Base-Backbone interact. energy: -0.685 local terms energy: -329.934074 where: bonds (distance) C4'-P energy: -61.356 bonds (distance) P-C4' energy: -64.245 flat angles C4'-P-C4' energy: -66.679 flat angles P-C4'-P energy: -56.476 tors. eta vs tors. theta energy: -81.178 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: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -998.168068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.168068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.168068 (E_RNA) where: Base-Base interactions energy: -673.530 where: short stacking energy: -290.659 Base-Backbone interact. energy: 1.229 local terms energy: -325.866886 where: bonds (distance) C4'-P energy: -68.122 bonds (distance) P-C4' energy: -63.862 flat angles C4'-P-C4' energy: -72.659 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: -80.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -996.174952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.174952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.174952 (E_RNA) where: Base-Base interactions energy: -663.057 where: short stacking energy: -297.272 Base-Backbone interact. energy: 0.097 local terms energy: -333.215519 where: bonds (distance) C4'-P energy: -61.357 bonds (distance) P-C4' energy: -64.517 flat angles C4'-P-C4' energy: -68.986 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -87.203 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: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -882.188558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.188558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.188558 (E_RNA) where: Base-Base interactions energy: -576.934 where: short stacking energy: -268.511 Base-Backbone interact. energy: -0.181 local terms energy: -305.074050 where: bonds (distance) C4'-P energy: -60.515 bonds (distance) P-C4' energy: -66.154 flat angles C4'-P-C4' energy: -65.436 flat angles P-C4'-P energy: -41.881 tors. eta vs tors. theta energy: -71.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -786.975098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.975098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.975098 (E_RNA) where: Base-Base interactions energy: -520.058 where: short stacking energy: -240.853 Base-Backbone interact. energy: 0.306 local terms energy: -267.223657 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -56.086 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -36.251 tors. eta vs tors. theta energy: -54.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -789.859649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.859649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.859649 (E_RNA) where: Base-Base interactions energy: -527.409 where: short stacking energy: -237.868 Base-Backbone interact. energy: 0.147 local terms energy: -262.598591 where: bonds (distance) C4'-P energy: -54.791 bonds (distance) P-C4' energy: -50.401 flat angles C4'-P-C4' energy: -60.564 flat angles P-C4'-P energy: -28.070 tors. eta vs tors. theta energy: -68.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -728.425476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.425476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.425476 (E_RNA) where: Base-Base interactions energy: -468.137 where: short stacking energy: -229.810 Base-Backbone interact. energy: -1.241 local terms energy: -259.047511 where: bonds (distance) C4'-P energy: -45.176 bonds (distance) P-C4' energy: -60.042 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -30.535 tors. eta vs tors. theta energy: -63.438 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: 343 Temperature: 1.250000 Total energy: -517.149640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.149640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.149640 (E_RNA) where: Base-Base interactions energy: -290.408 where: short stacking energy: -132.213 Base-Backbone interact. energy: -0.589 local terms energy: -226.153164 where: bonds (distance) C4'-P energy: -49.149 bonds (distance) P-C4' energy: -58.952 flat angles C4'-P-C4' energy: -52.990 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: -21.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -331.788109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.788109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.788109 (E_RNA) where: Base-Base interactions energy: -164.796 where: short stacking energy: -96.115 Base-Backbone interact. energy: -2.682 local terms energy: -164.310023 where: bonds (distance) C4'-P energy: -55.433 bonds (distance) P-C4' energy: -50.640 flat angles C4'-P-C4' energy: -35.319 flat angles P-C4'-P energy: -28.159 tors. eta vs tors. theta energy: 5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -305.801151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.801151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.801151 (E_RNA) where: Base-Base interactions energy: -127.342 where: short stacking energy: -90.025 Base-Backbone interact. energy: -1.400 local terms energy: -177.059744 where: bonds (distance) C4'-P energy: -49.519 bonds (distance) P-C4' energy: -45.556 flat angles C4'-P-C4' energy: -55.330 flat angles P-C4'-P energy: -25.309 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1067.705143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.705143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.705143 (E_RNA) where: Base-Base interactions energy: -740.388 where: short stacking energy: -328.342 Base-Backbone interact. energy: -1.304 local terms energy: -326.013078 where: bonds (distance) C4'-P energy: -56.748 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -75.065 flat angles P-C4'-P energy: -43.133 tors. eta vs tors. theta energy: -88.931 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: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1002.024992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.024992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.024992 (E_RNA) where: Base-Base interactions energy: -684.347 where: short stacking energy: -302.289 Base-Backbone interact. energy: 0.394 local terms energy: -318.072468 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -61.032 flat angles C4'-P-C4' energy: -69.354 flat angles P-C4'-P energy: -42.928 tors. eta vs tors. theta energy: -83.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -991.681249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.681249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.681249 (E_RNA) where: Base-Base interactions energy: -670.242 where: short stacking energy: -296.566 Base-Backbone interact. energy: -1.318 local terms energy: -320.121095 where: bonds (distance) C4'-P energy: -55.859 bonds (distance) P-C4' energy: -64.028 flat angles C4'-P-C4' energy: -71.784 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -85.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -897.961501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.961501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.961501 (E_RNA) where: Base-Base interactions energy: -589.310 where: short stacking energy: -268.743 Base-Backbone interact. energy: 0.214 local terms energy: -308.865125 where: bonds (distance) C4'-P energy: -49.113 bonds (distance) P-C4' energy: -68.312 flat angles C4'-P-C4' energy: -69.310 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -78.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -788.284958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.284958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.284958 (E_RNA) where: Base-Base interactions energy: -501.237 where: short stacking energy: -234.865 Base-Backbone interact. energy: -0.924 local terms energy: -286.123878 where: bonds (distance) C4'-P energy: -55.015 bonds (distance) P-C4' energy: -60.684 flat angles C4'-P-C4' energy: -63.015 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -66.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -821.110235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.110235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.110235 (E_RNA) where: Base-Base interactions energy: -533.707 where: short stacking energy: -231.515 Base-Backbone interact. energy: 1.695 local terms energy: -289.098162 where: bonds (distance) C4'-P energy: -53.933 bonds (distance) P-C4' energy: -63.636 flat angles C4'-P-C4' energy: -70.800 flat angles P-C4'-P energy: -39.909 tors. eta vs tors. theta energy: -60.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -719.912846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.912846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.912846 (E_RNA) where: Base-Base interactions energy: -475.029 where: short stacking energy: -203.223 Base-Backbone interact. energy: -0.808 local terms energy: -244.076157 where: bonds (distance) C4'-P energy: -55.903 bonds (distance) P-C4' energy: -49.877 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -26.014 tors. eta vs tors. theta energy: -51.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -551.754750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.754750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.754750 (E_RNA) where: Base-Base interactions energy: -328.936 where: short stacking energy: -160.955 Base-Backbone interact. energy: -1.428 local terms energy: -221.391455 where: bonds (distance) C4'-P energy: -53.113 bonds (distance) P-C4' energy: -44.641 flat angles C4'-P-C4' energy: -62.963 flat angles P-C4'-P energy: -27.625 tors. eta vs tors. theta energy: -33.050 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: 8 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -308.177886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.177886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.177886 (E_RNA) where: Base-Base interactions energy: -126.430 where: short stacking energy: -96.370 Base-Backbone interact. energy: 0.596 local terms energy: -182.343454 where: bonds (distance) C4'-P energy: -52.295 bonds (distance) P-C4' energy: -50.518 flat angles C4'-P-C4' energy: -46.606 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: 6.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -335.776922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.776922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.776922 (E_RNA) where: Base-Base interactions energy: -150.396 where: short stacking energy: -98.264 Base-Backbone interact. energy: 0.857 local terms energy: -186.238477 where: bonds (distance) C4'-P energy: -59.824 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -55.758 flat angles P-C4'-P energy: -18.988 tors. eta vs tors. theta energy: 10.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1078.969112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.969112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.969112 (E_RNA) where: Base-Base interactions energy: -737.457 where: short stacking energy: -311.948 Base-Backbone interact. energy: -1.291 local terms energy: -340.221045 where: bonds (distance) C4'-P energy: -62.094 bonds (distance) P-C4' energy: -67.448 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -50.764 tors. eta vs tors. theta energy: -88.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -992.455130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.455130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.455130 (E_RNA) where: Base-Base interactions energy: -664.772 where: short stacking energy: -284.015 Base-Backbone interact. energy: 1.145 local terms energy: -328.828022 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -64.441 flat angles C4'-P-C4' energy: -70.030 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -85.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -978.887662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.887662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.887662 (E_RNA) where: Base-Base interactions energy: -660.850 where: short stacking energy: -293.935 Base-Backbone interact. energy: -0.544 local terms energy: -317.493757 where: bonds (distance) C4'-P energy: -64.535 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -74.094 flat angles P-C4'-P energy: -37.199 tors. eta vs tors. theta energy: -78.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -932.519726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.519726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.519726 (E_RNA) where: Base-Base interactions energy: -622.487 where: short stacking energy: -279.596 Base-Backbone interact. energy: -0.541 local terms energy: -309.491968 where: bonds (distance) C4'-P energy: -58.160 bonds (distance) P-C4' energy: -65.256 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -44.273 tors. eta vs tors. theta energy: -76.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -805.585893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.585893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.585893 (E_RNA) where: Base-Base interactions energy: -518.211 where: short stacking energy: -254.502 Base-Backbone interact. energy: 1.580 local terms energy: -288.955680 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -59.526 flat angles C4'-P-C4' energy: -67.545 flat angles P-C4'-P energy: -36.530 tors. eta vs tors. theta energy: -63.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -763.822688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.822688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.822688 (E_RNA) where: Base-Base interactions energy: -493.060 where: short stacking energy: -216.303 Base-Backbone interact. energy: 4.735 local terms energy: -275.497195 where: bonds (distance) C4'-P energy: -62.981 bonds (distance) P-C4' energy: -64.494 flat angles C4'-P-C4' energy: -56.857 flat angles P-C4'-P energy: -35.589 tors. eta vs tors. theta energy: -55.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -723.955021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.955021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.955021 (E_RNA) where: Base-Base interactions energy: -472.618 where: short stacking energy: -211.161 Base-Backbone interact. energy: -0.535 local terms energy: -250.802412 where: bonds (distance) C4'-P energy: -54.012 bonds (distance) P-C4' energy: -49.870 flat angles C4'-P-C4' energy: -54.603 flat angles P-C4'-P energy: -42.803 tors. eta vs tors. theta energy: -49.514 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: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -529.519897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.519897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.519897 (E_RNA) where: Base-Base interactions energy: -322.110 where: short stacking energy: -154.429 Base-Backbone interact. energy: 0.677 local terms energy: -208.085997 where: bonds (distance) C4'-P energy: -55.987 bonds (distance) P-C4' energy: -42.397 flat angles C4'-P-C4' energy: -56.362 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: -14.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -279.514970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.514970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.514970 (E_RNA) where: Base-Base interactions energy: -99.776 where: short stacking energy: -81.327 Base-Backbone interact. energy: -1.634 local terms energy: -178.105113 where: bonds (distance) C4'-P energy: -59.324 bonds (distance) P-C4' energy: -62.361 flat angles C4'-P-C4' energy: -39.615 flat angles P-C4'-P energy: -25.556 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: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -364.550497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.550497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.550497 (E_RNA) where: Base-Base interactions energy: -182.111 where: short stacking energy: -104.921 Base-Backbone interact. energy: -0.499 local terms energy: -181.940721 where: bonds (distance) C4'-P energy: -47.245 bonds (distance) P-C4' energy: -55.510 flat angles C4'-P-C4' energy: -43.939 flat angles P-C4'-P energy: -29.940 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1083.663701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.663701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.663701 (E_RNA) where: Base-Base interactions energy: -725.117 where: short stacking energy: -327.454 Base-Backbone interact. energy: -0.975 local terms energy: -357.571935 where: bonds (distance) C4'-P energy: -66.157 bonds (distance) P-C4' energy: -72.063 flat angles C4'-P-C4' energy: -73.045 flat angles P-C4'-P energy: -49.964 tors. eta vs tors. theta energy: -96.343 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: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1002.657508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.657508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.657508 (E_RNA) where: Base-Base interactions energy: -685.394 where: short stacking energy: -300.648 Base-Backbone interact. energy: -0.711 local terms energy: -316.552358 where: bonds (distance) C4'-P energy: -40.329 bonds (distance) P-C4' energy: -58.164 flat angles C4'-P-C4' energy: -72.727 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -94.749 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: 346 Temperature: 1.000000 Total energy: -952.125147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.125147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.125147 (E_RNA) where: Base-Base interactions energy: -635.590 where: short stacking energy: -294.747 Base-Backbone interact. energy: -1.670 local terms energy: -314.864657 where: bonds (distance) C4'-P energy: -53.582 bonds (distance) P-C4' energy: -59.003 flat angles C4'-P-C4' energy: -69.823 flat angles P-C4'-P energy: -41.587 tors. eta vs tors. theta energy: -90.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -952.084412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.084412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.084412 (E_RNA) where: Base-Base interactions energy: -642.476 where: short stacking energy: -276.198 Base-Backbone interact. energy: -1.070 local terms energy: -308.538038 where: bonds (distance) C4'-P energy: -56.148 bonds (distance) P-C4' energy: -59.101 flat angles C4'-P-C4' energy: -70.851 flat angles P-C4'-P energy: -43.332 tors. eta vs tors. theta energy: -79.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -807.241929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.241929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.241929 (E_RNA) where: Base-Base interactions energy: -535.726 where: short stacking energy: -248.581 Base-Backbone interact. energy: -1.328 local terms energy: -270.187889 where: bonds (distance) C4'-P energy: -46.896 bonds (distance) P-C4' energy: -59.312 flat angles C4'-P-C4' energy: -61.572 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -59.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -799.054308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.054308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.054308 (E_RNA) where: Base-Base interactions energy: -511.445 where: short stacking energy: -233.038 Base-Backbone interact. energy: -1.264 local terms energy: -286.344745 where: bonds (distance) C4'-P energy: -57.024 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -64.327 flat angles P-C4'-P energy: -38.656 tors. eta vs tors. theta energy: -65.570 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: 346 Temperature: 1.200000 Total energy: -737.448210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.448210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.448210 (E_RNA) where: Base-Base interactions energy: -461.226 where: short stacking energy: -217.800 Base-Backbone interact. energy: 0.273 local terms energy: -276.495757 where: bonds (distance) C4'-P energy: -66.279 bonds (distance) P-C4' energy: -60.357 flat angles C4'-P-C4' energy: -53.401 flat angles P-C4'-P energy: -40.370 tors. eta vs tors. theta energy: -56.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -488.910928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.910928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.910928 (E_RNA) where: Base-Base interactions energy: -238.778 where: short stacking energy: -138.302 Base-Backbone interact. energy: -0.861 local terms energy: -249.271286 where: bonds (distance) C4'-P energy: -56.197 bonds (distance) P-C4' energy: -58.551 flat angles C4'-P-C4' energy: -59.289 flat angles P-C4'-P energy: -40.032 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: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -386.986649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.986649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.986649 (E_RNA) where: Base-Base interactions energy: -197.304 where: short stacking energy: -119.896 Base-Backbone interact. energy: -0.216 local terms energy: -189.466885 where: bonds (distance) C4'-P energy: -50.393 bonds (distance) P-C4' energy: -41.596 flat angles C4'-P-C4' energy: -65.212 flat angles P-C4'-P energy: -21.795 tors. eta vs tors. theta energy: -10.471 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: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -281.690905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.690905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.690905 (E_RNA) where: Base-Base interactions energy: -99.669 where: short stacking energy: -83.053 Base-Backbone interact. energy: 2.817 local terms energy: -184.838730 where: bonds (distance) C4'-P energy: -55.378 bonds (distance) P-C4' energy: -45.481 flat angles C4'-P-C4' energy: -50.197 flat angles P-C4'-P energy: -29.349 tors. eta vs tors. theta energy: -4.434 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: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1076.872802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.872802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.872802 (E_RNA) where: Base-Base interactions energy: -736.632 where: short stacking energy: -327.912 Base-Backbone interact. energy: -1.484 local terms energy: -338.756721 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -63.891 flat angles C4'-P-C4' energy: -75.692 flat angles P-C4'-P energy: -48.101 tors. eta vs tors. theta energy: -89.471 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: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -938.310652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.310652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.310652 (E_RNA) where: Base-Base interactions energy: -637.461 where: short stacking energy: -287.671 Base-Backbone interact. energy: 2.871 local terms energy: -303.720297 where: bonds (distance) C4'-P energy: -64.760 bonds (distance) P-C4' energy: -56.577 flat angles C4'-P-C4' energy: -60.427 flat angles P-C4'-P energy: -44.232 tors. eta vs tors. theta energy: -77.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1003.539477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.539477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.539477 (E_RNA) where: Base-Base interactions energy: -677.344 where: short stacking energy: -290.167 Base-Backbone interact. energy: -1.050 local terms energy: -325.145122 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -72.202 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -87.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -949.384618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.384618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.384618 (E_RNA) where: Base-Base interactions energy: -648.962 where: short stacking energy: -265.591 Base-Backbone interact. energy: -0.849 local terms energy: -299.573717 where: bonds (distance) C4'-P energy: -53.922 bonds (distance) P-C4' energy: -67.493 flat angles C4'-P-C4' energy: -64.349 flat angles P-C4'-P energy: -41.288 tors. eta vs tors. theta energy: -72.522 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: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -857.871380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.871380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.871380 (E_RNA) where: Base-Base interactions energy: -560.829 where: short stacking energy: -257.516 Base-Backbone interact. energy: -1.426 local terms energy: -295.615958 where: bonds (distance) C4'-P energy: -64.467 bonds (distance) P-C4' energy: -56.331 flat angles C4'-P-C4' energy: -65.638 flat angles P-C4'-P energy: -33.130 tors. eta vs tors. theta energy: -76.049 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: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -797.693083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.693083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.693083 (E_RNA) where: Base-Base interactions energy: -531.205 where: short stacking energy: -225.596 Base-Backbone interact. energy: -0.899 local terms energy: -265.589108 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -63.776 flat angles C4'-P-C4' energy: -49.319 flat angles P-C4'-P energy: -29.541 tors. eta vs tors. theta energy: -63.834 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: 7 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -735.068149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.068149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.068149 (E_RNA) where: Base-Base interactions energy: -464.572 where: short stacking energy: -211.144 Base-Backbone interact. energy: 0.993 local terms energy: -271.489412 where: bonds (distance) C4'-P energy: -58.860 bonds (distance) P-C4' energy: -59.923 flat angles C4'-P-C4' energy: -60.558 flat angles P-C4'-P energy: -38.793 tors. eta vs tors. theta energy: -53.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -522.199232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.199232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.199232 (E_RNA) where: Base-Base interactions energy: -309.164 where: short stacking energy: -162.072 Base-Backbone interact. energy: 3.004 local terms energy: -216.039490 where: bonds (distance) C4'-P energy: -47.560 bonds (distance) P-C4' energy: -51.799 flat angles C4'-P-C4' energy: -51.035 flat angles P-C4'-P energy: -36.170 tors. eta vs tors. theta energy: -29.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -369.547369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.547369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.547369 (E_RNA) where: Base-Base interactions energy: -173.846 where: short stacking energy: -107.767 Base-Backbone interact. energy: -1.053 local terms energy: -194.647843 where: bonds (distance) C4'-P energy: -58.819 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -44.614 flat angles P-C4'-P energy: -29.186 tors. eta vs tors. theta energy: -2.411 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: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -285.307282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.307282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.307282 (E_RNA) where: Base-Base interactions energy: -112.177 where: short stacking energy: -77.605 Base-Backbone interact. energy: -2.293 local terms energy: -170.836443 where: bonds (distance) C4'-P energy: -53.587 bonds (distance) P-C4' energy: -55.788 flat angles C4'-P-C4' energy: -48.523 flat angles P-C4'-P energy: -16.451 tors. eta vs tors. theta energy: 3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1071.302712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.302712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.302712 (E_RNA) where: Base-Base interactions energy: -734.377 where: short stacking energy: -309.241 Base-Backbone interact. energy: 0.393 local terms energy: -337.318643 where: bonds (distance) C4'-P energy: -68.898 bonds (distance) P-C4' energy: -65.159 flat angles C4'-P-C4' energy: -74.630 flat angles P-C4'-P energy: -45.272 tors. eta vs tors. theta energy: -83.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -943.914431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.914431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.914431 (E_RNA) where: Base-Base interactions energy: -631.733 where: short stacking energy: -300.235 Base-Backbone interact. energy: -1.865 local terms energy: -310.316364 where: bonds (distance) C4'-P energy: -61.714 bonds (distance) P-C4' energy: -60.648 flat angles C4'-P-C4' energy: -65.822 flat angles P-C4'-P energy: -40.040 tors. eta vs tors. theta energy: -82.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -996.984120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.984120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.984120 (E_RNA) where: Base-Base interactions energy: -667.288 where: short stacking energy: -289.536 Base-Backbone interact. energy: -0.817 local terms energy: -328.878970 where: bonds (distance) C4'-P energy: -68.503 bonds (distance) P-C4' energy: -56.876 flat angles C4'-P-C4' energy: -67.729 flat angles P-C4'-P energy: -53.754 tors. eta vs tors. theta energy: -82.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -960.332017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.332017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.332017 (E_RNA) where: Base-Base interactions energy: -656.273 where: short stacking energy: -285.110 Base-Backbone interact. energy: -0.186 local terms energy: -303.872785 where: bonds (distance) C4'-P energy: -56.079 bonds (distance) P-C4' energy: -64.838 flat angles C4'-P-C4' energy: -60.275 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -81.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -832.575209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.575209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.575209 (E_RNA) where: Base-Base interactions energy: -549.188 where: short stacking energy: -263.064 Base-Backbone interact. energy: -0.195 local terms energy: -283.192131 where: bonds (distance) C4'-P energy: -56.773 bonds (distance) P-C4' energy: -62.637 flat angles C4'-P-C4' energy: -66.756 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -56.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -801.283594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.283594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.283594 (E_RNA) where: Base-Base interactions energy: -525.080 where: short stacking energy: -231.674 Base-Backbone interact. energy: -0.849 local terms energy: -275.354883 where: bonds (distance) C4'-P energy: -60.642 bonds (distance) P-C4' energy: -61.747 flat angles C4'-P-C4' energy: -58.311 flat angles P-C4'-P energy: -29.482 tors. eta vs tors. theta energy: -65.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -740.516860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.516860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.516860 (E_RNA) where: Base-Base interactions energy: -508.771 where: short stacking energy: -224.343 Base-Backbone interact. energy: -1.006 local terms energy: -230.740039 where: bonds (distance) C4'-P energy: -43.824 bonds (distance) P-C4' energy: -49.380 flat angles C4'-P-C4' energy: -39.796 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -54.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -523.874602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.874602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.874602 (E_RNA) where: Base-Base interactions energy: -281.505 where: short stacking energy: -145.559 Base-Backbone interact. energy: -2.360 local terms energy: -240.010296 where: bonds (distance) C4'-P energy: -52.698 bonds (distance) P-C4' energy: -51.668 flat angles C4'-P-C4' energy: -61.374 flat angles P-C4'-P energy: -34.272 tors. eta vs tors. theta energy: -39.999 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: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -374.715432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.715432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.715432 (E_RNA) where: Base-Base interactions energy: -188.595 where: short stacking energy: -106.533 Base-Backbone interact. energy: 0.842 local terms energy: -186.962271 where: bonds (distance) C4'-P energy: -44.932 bonds (distance) P-C4' energy: -60.816 flat angles C4'-P-C4' energy: -48.475 flat angles P-C4'-P energy: -16.984 tors. eta vs tors. theta energy: -15.755 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: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -290.854335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.854335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.854335 (E_RNA) where: Base-Base interactions energy: -108.857 where: short stacking energy: -88.529 Base-Backbone interact. energy: -0.831 local terms energy: -181.166462 where: bonds (distance) C4'-P energy: -51.415 bonds (distance) P-C4' energy: -57.694 flat angles C4'-P-C4' energy: -47.513 flat angles P-C4'-P energy: -17.941 tors. eta vs tors. theta energy: -6.603 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: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1054.767013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.767013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.767013 (E_RNA) where: Base-Base interactions energy: -714.261 where: short stacking energy: -316.622 Base-Backbone interact. energy: -1.964 local terms energy: -338.542741 where: bonds (distance) C4'-P energy: -63.081 bonds (distance) P-C4' energy: -70.001 flat angles C4'-P-C4' energy: -74.188 flat angles P-C4'-P energy: -43.959 tors. eta vs tors. theta energy: -87.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1007.137825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.137825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.137825 (E_RNA) where: Base-Base interactions energy: -690.763 where: short stacking energy: -296.315 Base-Backbone interact. energy: -2.354 local terms energy: -314.020679 where: bonds (distance) C4'-P energy: -61.001 bonds (distance) P-C4' energy: -51.988 flat angles C4'-P-C4' energy: -68.232 flat angles P-C4'-P energy: -47.861 tors. eta vs tors. theta energy: -84.938 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: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -898.830519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.830519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.830519 (E_RNA) where: Base-Base interactions energy: -601.689 where: short stacking energy: -264.576 Base-Backbone interact. energy: -1.442 local terms energy: -295.700173 where: bonds (distance) C4'-P energy: -50.374 bonds (distance) P-C4' energy: -65.860 flat angles C4'-P-C4' energy: -61.234 flat angles P-C4'-P energy: -46.713 tors. eta vs tors. theta energy: -71.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -962.621270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.621270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.621270 (E_RNA) where: Base-Base interactions energy: -659.144 where: short stacking energy: -281.702 Base-Backbone interact. energy: -1.918 local terms energy: -301.559680 where: bonds (distance) C4'-P energy: -57.047 bonds (distance) P-C4' energy: -60.318 flat angles C4'-P-C4' energy: -57.458 flat angles P-C4'-P energy: -46.734 tors. eta vs tors. theta energy: -80.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -826.266237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.266237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.266237 (E_RNA) where: Base-Base interactions energy: -548.997 where: short stacking energy: -242.035 Base-Backbone interact. energy: -0.434 local terms energy: -276.835386 where: bonds (distance) C4'-P energy: -53.655 bonds (distance) P-C4' energy: -57.332 flat angles C4'-P-C4' energy: -58.121 flat angles P-C4'-P energy: -37.141 tors. eta vs tors. theta energy: -70.586 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: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -835.442274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.442274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.442274 (E_RNA) where: Base-Base interactions energy: -553.454 where: short stacking energy: -258.802 Base-Backbone interact. energy: -0.602 local terms energy: -281.386202 where: bonds (distance) C4'-P energy: -57.306 bonds (distance) P-C4' energy: -48.105 flat angles C4'-P-C4' energy: -66.840 flat angles P-C4'-P energy: -34.340 tors. eta vs tors. theta energy: -74.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -733.391881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.391881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.391881 (E_RNA) where: Base-Base interactions energy: -483.897 where: short stacking energy: -199.181 Base-Backbone interact. energy: 4.701 local terms energy: -254.196295 where: bonds (distance) C4'-P energy: -58.773 bonds (distance) P-C4' energy: -48.016 flat angles C4'-P-C4' energy: -54.431 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -50.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -460.704717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.704717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.704717 (E_RNA) where: Base-Base interactions energy: -242.467 where: short stacking energy: -135.464 Base-Backbone interact. energy: -1.205 local terms energy: -217.032982 where: bonds (distance) C4'-P energy: -51.126 bonds (distance) P-C4' energy: -58.353 flat angles C4'-P-C4' energy: -53.427 flat angles P-C4'-P energy: -26.511 tors. eta vs tors. theta energy: -27.616 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: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -428.871359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.871359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.871359 (E_RNA) where: Base-Base interactions energy: -221.402 where: short stacking energy: -114.854 Base-Backbone interact. energy: -1.518 local terms energy: -205.951343 where: bonds (distance) C4'-P energy: -64.198 bonds (distance) P-C4' energy: -46.081 flat angles C4'-P-C4' energy: -55.979 flat angles P-C4'-P energy: -25.094 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -294.601069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.601069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.601069 (E_RNA) where: Base-Base interactions energy: -146.344 where: short stacking energy: -90.778 Base-Backbone interact. energy: 1.886 local terms energy: -150.143484 where: bonds (distance) C4'-P energy: -50.683 bonds (distance) P-C4' energy: -43.918 flat angles C4'-P-C4' energy: -32.984 flat angles P-C4'-P energy: -35.797 tors. eta vs tors. theta energy: 13.238 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: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1070.258397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.258397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.258397 (E_RNA) where: Base-Base interactions energy: -730.353 where: short stacking energy: -317.157 Base-Backbone interact. energy: -0.013 local terms energy: -339.891587 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: -91.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1022.758119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.758119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.758119 (E_RNA) where: Base-Base interactions energy: -697.523 where: short stacking energy: -322.597 Base-Backbone interact. energy: -1.064 local terms energy: -324.171607 where: bonds (distance) C4'-P energy: -64.804 bonds (distance) P-C4' energy: -62.746 flat angles C4'-P-C4' energy: -70.725 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: -85.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -972.493996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.493996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.493996 (E_RNA) where: Base-Base interactions energy: -674.103 where: short stacking energy: -287.362 Base-Backbone interact. energy: -0.116 local terms energy: -298.274834 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -43.420 tors. eta vs tors. theta energy: -72.363 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: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -886.878763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.878763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.878763 (E_RNA) where: Base-Base interactions energy: -585.884 where: short stacking energy: -265.736 Base-Backbone interact. energy: 0.938 local terms energy: -301.932494 where: bonds (distance) C4'-P energy: -60.804 bonds (distance) P-C4' energy: -63.407 flat angles C4'-P-C4' energy: -62.516 flat angles P-C4'-P energy: -33.536 tors. eta vs tors. theta energy: -81.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -831.270893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.270893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.270893 (E_RNA) where: Base-Base interactions energy: -529.805 where: short stacking energy: -248.810 Base-Backbone interact. energy: -2.562 local terms energy: -298.903119 where: bonds (distance) C4'-P energy: -57.611 bonds (distance) P-C4' energy: -59.676 flat angles C4'-P-C4' energy: -64.577 flat angles P-C4'-P energy: -40.289 tors. eta vs tors. theta energy: -76.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -821.718687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.718687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.718687 (E_RNA) where: Base-Base interactions energy: -552.378 where: short stacking energy: -247.481 Base-Backbone interact. energy: -1.582 local terms energy: -267.758512 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -46.795 flat angles C4'-P-C4' energy: -60.919 flat angles P-C4'-P energy: -43.989 tors. eta vs tors. theta energy: -56.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -752.368644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.368644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.368644 (E_RNA) where: Base-Base interactions energy: -482.358 where: short stacking energy: -207.429 Base-Backbone interact. energy: 3.933 local terms energy: -273.944122 where: bonds (distance) C4'-P energy: -51.551 bonds (distance) P-C4' energy: -64.820 flat angles C4'-P-C4' energy: -58.447 flat angles P-C4'-P energy: -37.061 tors. eta vs tors. theta energy: -62.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -487.732052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.732052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.732052 (E_RNA) where: Base-Base interactions energy: -268.273 where: short stacking energy: -149.054 Base-Backbone interact. energy: -1.240 local terms energy: -218.218708 where: bonds (distance) C4'-P energy: -60.645 bonds (distance) P-C4' energy: -52.453 flat angles C4'-P-C4' energy: -53.430 flat angles P-C4'-P energy: -30.805 tors. eta vs tors. theta energy: -20.886 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: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -563.962016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.962016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.962016 (E_RNA) where: Base-Base interactions energy: -346.965 where: short stacking energy: -150.997 Base-Backbone interact. energy: -0.863 local terms energy: -216.133704 where: bonds (distance) C4'-P energy: -54.478 bonds (distance) P-C4' energy: -50.782 flat angles C4'-P-C4' energy: -65.617 flat angles P-C4'-P energy: -20.716 tors. eta vs tors. theta energy: -24.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -287.488300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.488300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.488300 (E_RNA) where: Base-Base interactions energy: -128.275 where: short stacking energy: -89.972 Base-Backbone interact. energy: 1.377 local terms energy: -160.590111 where: bonds (distance) C4'-P energy: -53.022 bonds (distance) P-C4' energy: -46.655 flat angles C4'-P-C4' energy: -33.719 flat angles P-C4'-P energy: -35.557 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: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1046.526704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.526704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.526704 (E_RNA) where: Base-Base interactions energy: -706.784 where: short stacking energy: -306.805 Base-Backbone interact. energy: -3.283 local terms energy: -336.459830 where: bonds (distance) C4'-P energy: -69.547 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -73.027 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -82.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1008.852810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.852810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.852810 (E_RNA) where: Base-Base interactions energy: -677.695 where: short stacking energy: -294.301 Base-Backbone interact. energy: -0.543 local terms energy: -330.614435 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -60.958 flat angles C4'-P-C4' energy: -72.461 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -89.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -974.908510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.908510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.908510 (E_RNA) where: Base-Base interactions energy: -670.781 where: short stacking energy: -299.918 Base-Backbone interact. energy: 1.085 local terms energy: -305.212561 where: bonds (distance) C4'-P energy: -58.629 bonds (distance) P-C4' energy: -65.100 flat angles C4'-P-C4' energy: -65.920 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -72.252 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: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -910.627934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.627934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.627934 (E_RNA) where: Base-Base interactions energy: -590.522 where: short stacking energy: -258.157 Base-Backbone interact. energy: -0.218 local terms energy: -319.887817 where: bonds (distance) C4'-P energy: -66.545 bonds (distance) P-C4' energy: -62.173 flat angles C4'-P-C4' energy: -67.604 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: -70.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -849.010199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.010199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.010199 (E_RNA) where: Base-Base interactions energy: -549.513 where: short stacking energy: -248.894 Base-Backbone interact. energy: 0.049 local terms energy: -299.546138 where: bonds (distance) C4'-P energy: -60.823 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -58.397 flat angles P-C4'-P energy: -37.330 tors. eta vs tors. theta energy: -75.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -782.506233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.506233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.506233 (E_RNA) where: Base-Base interactions energy: -527.672 where: short stacking energy: -239.299 Base-Backbone interact. energy: -0.724 local terms energy: -254.110333 where: bonds (distance) C4'-P energy: -46.784 bonds (distance) P-C4' energy: -54.485 flat angles C4'-P-C4' energy: -60.316 flat angles P-C4'-P energy: -36.235 tors. eta vs tors. theta energy: -56.289 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: 351 Temperature: 1.200000 Total energy: -763.120355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.120355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.120355 (E_RNA) where: Base-Base interactions energy: -505.269 where: short stacking energy: -236.552 Base-Backbone interact. energy: -1.044 local terms energy: -256.807483 where: bonds (distance) C4'-P energy: -39.017 bonds (distance) P-C4' energy: -57.805 flat angles C4'-P-C4' energy: -59.376 flat angles P-C4'-P energy: -40.713 tors. eta vs tors. theta energy: -59.897 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: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -567.699679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.699679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.699679 (E_RNA) where: Base-Base interactions energy: -336.365 where: short stacking energy: -166.651 Base-Backbone interact. energy: -1.739 local terms energy: -229.596229 where: bonds (distance) C4'-P energy: -50.395 bonds (distance) P-C4' energy: -44.131 flat angles C4'-P-C4' energy: -62.553 flat angles P-C4'-P energy: -40.167 tors. eta vs tors. theta energy: -32.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -454.878762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.878762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.878762 (E_RNA) where: Base-Base interactions energy: -254.514 where: short stacking energy: -110.445 Base-Backbone interact. energy: 2.312 local terms energy: -202.676852 where: bonds (distance) C4'-P energy: -43.412 bonds (distance) P-C4' energy: -56.734 flat angles C4'-P-C4' energy: -61.373 flat angles P-C4'-P energy: -39.453 tors. eta vs tors. theta energy: -1.705 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: 10, replica: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -286.297099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.297099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.297099 (E_RNA) where: Base-Base interactions energy: -130.359 where: short stacking energy: -84.918 Base-Backbone interact. energy: -0.276 local terms energy: -155.662456 where: bonds (distance) C4'-P energy: -54.447 bonds (distance) P-C4' energy: -58.028 flat angles C4'-P-C4' energy: -34.026 flat angles P-C4'-P energy: -26.533 tors. eta vs tors. theta energy: 17.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1078.965869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.965869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.965869 (E_RNA) where: Base-Base interactions energy: -720.991 where: short stacking energy: -320.321 Base-Backbone interact. energy: -2.564 local terms energy: -355.410587 where: bonds (distance) C4'-P energy: -72.621 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -78.152 flat angles P-C4'-P energy: -55.486 tors. eta vs tors. theta energy: -87.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1008.128336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.128336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.128336 (E_RNA) where: Base-Base interactions energy: -672.319 where: short stacking energy: -303.203 Base-Backbone interact. energy: -0.116 local terms energy: -335.694108 where: bonds (distance) C4'-P energy: -64.542 bonds (distance) P-C4' energy: -57.780 flat angles C4'-P-C4' energy: -68.438 flat angles P-C4'-P energy: -49.605 tors. eta vs tors. theta energy: -95.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -977.692337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.692337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.692337 (E_RNA) where: Base-Base interactions energy: -659.970 where: short stacking energy: -298.906 Base-Backbone interact. energy: -1.588 local terms energy: -316.133966 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -58.035 flat angles C4'-P-C4' energy: -70.142 flat angles P-C4'-P energy: -42.490 tors. eta vs tors. theta energy: -79.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -923.990274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.990274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.990274 (E_RNA) where: Base-Base interactions energy: -603.423 where: short stacking energy: -275.359 Base-Backbone interact. energy: -0.846 local terms energy: -319.721847 where: bonds (distance) C4'-P energy: -59.106 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -68.134 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -84.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -844.867003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.867003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.867003 (E_RNA) where: Base-Base interactions energy: -552.679 where: short stacking energy: -266.766 Base-Backbone interact. energy: -0.604 local terms energy: -291.584086 where: bonds (distance) C4'-P energy: -42.075 bonds (distance) P-C4' energy: -61.529 flat angles C4'-P-C4' energy: -67.212 flat angles P-C4'-P energy: -38.843 tors. eta vs tors. theta energy: -81.925 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: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -762.650707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.650707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.650707 (E_RNA) where: Base-Base interactions energy: -497.882 where: short stacking energy: -214.339 Base-Backbone interact. energy: -1.066 local terms energy: -263.702222 where: bonds (distance) C4'-P energy: -60.173 bonds (distance) P-C4' energy: -52.374 flat angles C4'-P-C4' energy: -61.322 flat angles P-C4'-P energy: -37.920 tors. eta vs tors. theta energy: -51.913 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: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -735.646843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.646843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.646843 (E_RNA) where: Base-Base interactions energy: -486.710 where: short stacking energy: -224.692 Base-Backbone interact. energy: -0.548 local terms energy: -248.388065 where: bonds (distance) C4'-P energy: -43.119 bonds (distance) P-C4' energy: -52.521 flat angles C4'-P-C4' energy: -59.519 flat angles P-C4'-P energy: -39.409 tors. eta vs tors. theta energy: -53.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -481.282240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.282240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.282240 (E_RNA) where: Base-Base interactions energy: -280.775 where: short stacking energy: -143.992 Base-Backbone interact. energy: -1.000 local terms energy: -199.507880 where: bonds (distance) C4'-P energy: -47.818 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -43.939 flat angles P-C4'-P energy: -25.111 tors. eta vs tors. theta energy: -22.734 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: 352 Temperature: 1.300000 Total energy: -427.173677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.173677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.173677 (E_RNA) where: Base-Base interactions energy: -250.360 where: short stacking energy: -125.722 Base-Backbone interact. energy: 3.920 local terms energy: -180.734240 where: bonds (distance) C4'-P energy: -53.880 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -43.806 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -14.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -286.015042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.015042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.015042 (E_RNA) where: Base-Base interactions energy: -106.855 where: short stacking energy: -73.708 Base-Backbone interact. energy: -2.054 local terms energy: -177.105454 where: bonds (distance) C4'-P energy: -49.730 bonds (distance) P-C4' energy: -59.072 flat angles C4'-P-C4' energy: -50.714 flat angles P-C4'-P energy: -27.690 tors. eta vs tors. theta energy: 10.100 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: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1051.461382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.461382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.461382 (E_RNA) where: Base-Base interactions energy: -709.104 where: short stacking energy: -316.388 Base-Backbone interact. energy: -2.091 local terms energy: -340.266379 where: bonds (distance) C4'-P energy: -67.287 bonds (distance) P-C4' energy: -67.489 flat angles C4'-P-C4' energy: -78.104 flat angles P-C4'-P energy: -41.710 tors. eta vs tors. theta energy: -85.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1025.295066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.295066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.295066 (E_RNA) where: Base-Base interactions energy: -693.617 where: short stacking energy: -301.533 Base-Backbone interact. energy: -0.917 local terms energy: -330.761324 where: bonds (distance) C4'-P energy: -65.685 bonds (distance) P-C4' energy: -72.352 flat angles C4'-P-C4' energy: -69.807 flat angles P-C4'-P energy: -43.462 tors. eta vs tors. theta energy: -79.455 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: 353 Temperature: 1.000000 Total energy: -954.346833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.346833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.346833 (E_RNA) where: Base-Base interactions energy: -634.124 where: short stacking energy: -289.428 Base-Backbone interact. energy: -1.787 local terms energy: -318.435928 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -56.803 flat angles C4'-P-C4' energy: -69.548 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -81.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -910.929097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.929097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.929097 (E_RNA) where: Base-Base interactions energy: -606.578 where: short stacking energy: -275.499 Base-Backbone interact. energy: 2.890 local terms energy: -307.241458 where: bonds (distance) C4'-P energy: -66.318 bonds (distance) P-C4' energy: -57.893 flat angles C4'-P-C4' energy: -60.544 flat angles P-C4'-P energy: -43.452 tors. eta vs tors. theta energy: -79.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -846.641608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.641608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.641608 (E_RNA) where: Base-Base interactions energy: -544.118 where: short stacking energy: -277.825 Base-Backbone interact. energy: -0.627 local terms energy: -301.896629 where: bonds (distance) C4'-P energy: -60.467 bonds (distance) P-C4' energy: -50.327 flat angles C4'-P-C4' energy: -69.099 flat angles P-C4'-P energy: -41.520 tors. eta vs tors. theta energy: -80.484 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: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -749.566587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.566587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.566587 (E_RNA) where: Base-Base interactions energy: -491.367 where: short stacking energy: -221.259 Base-Backbone interact. energy: -0.098 local terms energy: -258.101533 where: bonds (distance) C4'-P energy: -47.286 bonds (distance) P-C4' energy: -58.012 flat angles C4'-P-C4' energy: -65.024 flat angles P-C4'-P energy: -31.034 tors. eta vs tors. theta energy: -56.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -757.206063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.206063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.206063 (E_RNA) where: Base-Base interactions energy: -492.770 where: short stacking energy: -213.930 Base-Backbone interact. energy: -2.190 local terms energy: -262.245985 where: bonds (distance) C4'-P energy: -56.632 bonds (distance) P-C4' energy: -59.765 flat angles C4'-P-C4' energy: -51.968 flat angles P-C4'-P energy: -44.639 tors. eta vs tors. theta energy: -49.241 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: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -443.837232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.837232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.837232 (E_RNA) where: Base-Base interactions energy: -250.035 where: short stacking energy: -130.465 Base-Backbone interact. energy: -1.076 local terms energy: -192.725905 where: bonds (distance) C4'-P energy: -50.764 bonds (distance) P-C4' energy: -59.386 flat angles C4'-P-C4' energy: -47.423 flat angles P-C4'-P energy: -23.359 tors. eta vs tors. theta energy: -11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -464.668344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.668344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.668344 (E_RNA) where: Base-Base interactions energy: -270.271 where: short stacking energy: -127.864 Base-Backbone interact. energy: -1.662 local terms energy: -192.735775 where: bonds (distance) C4'-P energy: -51.346 bonds (distance) P-C4' energy: -48.885 flat angles C4'-P-C4' energy: -39.697 flat angles P-C4'-P energy: -31.560 tors. eta vs tors. theta energy: -21.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -270.086761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.086761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.086761 (E_RNA) where: Base-Base interactions energy: -92.437 where: short stacking energy: -62.406 Base-Backbone interact. energy: -0.605 local terms energy: -177.045347 where: bonds (distance) C4'-P energy: -51.944 bonds (distance) P-C4' energy: -64.277 flat angles C4'-P-C4' energy: -45.150 flat angles P-C4'-P energy: -22.610 tors. eta vs tors. theta energy: 6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1066.629380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.629380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.629380 (E_RNA) where: Base-Base interactions energy: -711.148 where: short stacking energy: -321.876 Base-Backbone interact. energy: -3.479 local terms energy: -352.002686 where: bonds (distance) C4'-P energy: -69.489 bonds (distance) P-C4' energy: -66.409 flat angles C4'-P-C4' energy: -76.066 flat angles P-C4'-P energy: -50.831 tors. eta vs tors. theta energy: -89.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1047.809555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.809555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.809555 (E_RNA) where: Base-Base interactions energy: -718.529 where: short stacking energy: -318.240 Base-Backbone interact. energy: -1.213 local terms energy: -328.068237 where: bonds (distance) C4'-P energy: -59.602 bonds (distance) P-C4' energy: -66.049 flat angles C4'-P-C4' energy: -68.383 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: -87.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -950.608507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.608507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.608507 (E_RNA) where: Base-Base interactions energy: -641.677 where: short stacking energy: -287.005 Base-Backbone interact. energy: -1.281 local terms energy: -307.650237 where: bonds (distance) C4'-P energy: -52.173 bonds (distance) P-C4' energy: -66.682 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -46.727 tors. eta vs tors. theta energy: -73.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -896.942313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.942313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.942313 (E_RNA) where: Base-Base interactions energy: -590.877 where: short stacking energy: -258.622 Base-Backbone interact. energy: -0.991 local terms energy: -305.073905 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -54.639 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: -75.299 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: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -818.730676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.730676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.730676 (E_RNA) where: Base-Base interactions energy: -528.356 where: short stacking energy: -229.783 Base-Backbone interact. energy: -1.460 local terms energy: -288.914689 where: bonds (distance) C4'-P energy: -62.604 bonds (distance) P-C4' energy: -53.884 flat angles C4'-P-C4' energy: -63.082 flat angles P-C4'-P energy: -47.869 tors. eta vs tors. theta energy: -61.476 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: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -840.893059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.893059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.893059 (E_RNA) where: Base-Base interactions energy: -542.113 where: short stacking energy: -247.056 Base-Backbone interact. energy: -1.625 local terms energy: -297.155338 where: bonds (distance) C4'-P energy: -64.347 bonds (distance) P-C4' energy: -62.883 flat angles C4'-P-C4' energy: -60.023 flat angles P-C4'-P energy: -42.668 tors. eta vs tors. theta energy: -67.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -761.268845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.268845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.268845 (E_RNA) where: Base-Base interactions energy: -499.338 where: short stacking energy: -223.378 Base-Backbone interact. energy: -0.384 local terms energy: -261.546745 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -46.454 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -40.582 tors. eta vs tors. theta energy: -59.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -501.066099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.066099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.066099 (E_RNA) where: Base-Base interactions energy: -275.166 where: short stacking energy: -149.655 Base-Backbone interact. energy: -0.549 local terms energy: -225.351070 where: bonds (distance) C4'-P energy: -43.830 bonds (distance) P-C4' energy: -66.768 flat angles C4'-P-C4' energy: -57.436 flat angles P-C4'-P energy: -26.138 tors. eta vs tors. theta energy: -31.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -464.321422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.321422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.321422 (E_RNA) where: Base-Base interactions energy: -251.655 where: short stacking energy: -140.249 Base-Backbone interact. energy: -0.930 local terms energy: -211.736819 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -51.657 flat angles C4'-P-C4' energy: -40.128 flat angles P-C4'-P energy: -36.849 tors. eta vs tors. theta energy: -22.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -258.335617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.335617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.335617 (E_RNA) where: Base-Base interactions energy: -83.175 where: short stacking energy: -69.372 Base-Backbone interact. energy: -0.704 local terms energy: -174.456900 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -56.484 flat angles C4'-P-C4' energy: -43.733 flat angles P-C4'-P energy: -28.743 tors. eta vs tors. theta energy: 11.897 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: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1039.957770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.957770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.957770 (E_RNA) where: Base-Base interactions energy: -714.029 where: short stacking energy: -314.164 Base-Backbone interact. energy: -2.471 local terms energy: -323.457651 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -65.193 flat angles C4'-P-C4' energy: -72.594 flat angles P-C4'-P energy: -44.747 tors. eta vs tors. theta energy: -82.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1020.820001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.820001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.820001 (E_RNA) where: Base-Base interactions energy: -714.617 where: short stacking energy: -317.672 Base-Backbone interact. energy: -1.073 local terms energy: -305.129867 where: bonds (distance) C4'-P energy: -62.295 bonds (distance) P-C4' energy: -66.220 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: -82.273 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: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -963.516755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.516755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.516755 (E_RNA) where: Base-Base interactions energy: -637.788 where: short stacking energy: -277.399 Base-Backbone interact. energy: 1.507 local terms energy: -327.235841 where: bonds (distance) C4'-P energy: -56.385 bonds (distance) P-C4' energy: -72.468 flat angles C4'-P-C4' energy: -69.855 flat angles P-C4'-P energy: -49.190 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: 4, replica: 3 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -920.031929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.031929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.031929 (E_RNA) where: Base-Base interactions energy: -621.990 where: short stacking energy: -293.090 Base-Backbone interact. energy: -0.802 local terms energy: -297.239175 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -57.766 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -74.672 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: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -812.138705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.138705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.138705 (E_RNA) where: Base-Base interactions energy: -535.425 where: short stacking energy: -225.868 Base-Backbone interact. energy: 0.301 local terms energy: -277.014241 where: bonds (distance) C4'-P energy: -62.549 bonds (distance) P-C4' energy: -55.611 flat angles C4'-P-C4' energy: -65.364 flat angles P-C4'-P energy: -39.313 tors. eta vs tors. theta energy: -54.177 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: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -832.014088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.014088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.014088 (E_RNA) where: Base-Base interactions energy: -539.287 where: short stacking energy: -263.046 Base-Backbone interact. energy: 0.864 local terms energy: -293.591552 where: bonds (distance) C4'-P energy: -41.904 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -62.816 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -79.588 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: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -772.313954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.313954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.313954 (E_RNA) where: Base-Base interactions energy: -511.634 where: short stacking energy: -234.740 Base-Backbone interact. energy: 0.741 local terms energy: -261.420225 where: bonds (distance) C4'-P energy: -50.813 bonds (distance) P-C4' energy: -59.332 flat angles C4'-P-C4' energy: -52.014 flat angles P-C4'-P energy: -34.787 tors. eta vs tors. theta energy: -64.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -447.756086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.756086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.756086 (E_RNA) where: Base-Base interactions energy: -238.617 where: short stacking energy: -119.094 Base-Backbone interact. energy: 1.077 local terms energy: -210.216534 where: bonds (distance) C4'-P energy: -59.352 bonds (distance) P-C4' energy: -59.272 flat angles C4'-P-C4' energy: -51.545 flat angles P-C4'-P energy: -31.581 tors. eta vs tors. theta energy: -8.468 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: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -390.649116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.649116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.649116 (E_RNA) where: Base-Base interactions energy: -208.541 where: short stacking energy: -109.399 Base-Backbone interact. energy: 2.367 local terms energy: -184.475444 where: bonds (distance) C4'-P energy: -53.047 bonds (distance) P-C4' energy: -40.596 flat angles C4'-P-C4' energy: -52.467 flat angles P-C4'-P energy: -30.729 tors. eta vs tors. theta energy: -7.637 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: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -314.924927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.924927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.924927 (E_RNA) where: Base-Base interactions energy: -114.345 where: short stacking energy: -91.316 Base-Backbone interact. energy: 1.406 local terms energy: -201.986479 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -61.534 flat angles C4'-P-C4' energy: -51.766 flat angles P-C4'-P energy: -27.724 tors. eta vs tors. theta energy: -4.879 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: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1056.906786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.906786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.906786 (E_RNA) where: Base-Base interactions energy: -717.045 where: short stacking energy: -307.851 Base-Backbone interact. energy: -0.598 local terms energy: -339.264096 where: bonds (distance) C4'-P energy: -61.549 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -73.091 flat angles P-C4'-P energy: -56.093 tors. eta vs tors. theta energy: -85.106 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: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1009.506960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.506960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.506960 (E_RNA) where: Base-Base interactions energy: -689.627 where: short stacking energy: -288.246 Base-Backbone interact. energy: -1.231 local terms energy: -318.649339 where: bonds (distance) C4'-P energy: -68.152 bonds (distance) P-C4' energy: -66.337 flat angles C4'-P-C4' energy: -69.078 flat angles P-C4'-P energy: -31.016 tors. eta vs tors. theta energy: -84.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -952.455294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.455294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.455294 (E_RNA) where: Base-Base interactions energy: -635.985 where: short stacking energy: -308.469 Base-Backbone interact. energy: -2.524 local terms energy: -313.947004 where: bonds (distance) C4'-P energy: -56.663 bonds (distance) P-C4' energy: -64.841 flat angles C4'-P-C4' energy: -67.131 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -85.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -955.616516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.616516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.616516 (E_RNA) where: Base-Base interactions energy: -653.844 where: short stacking energy: -285.191 Base-Backbone interact. energy: -0.855 local terms energy: -300.917397 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -60.470 flat angles C4'-P-C4' energy: -68.140 flat angles P-C4'-P energy: -41.222 tors. eta vs tors. theta energy: -69.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -852.364708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.364708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.364708 (E_RNA) where: Base-Base interactions energy: -559.124 where: short stacking energy: -254.035 Base-Backbone interact. energy: -0.533 local terms energy: -292.708661 where: bonds (distance) C4'-P energy: -40.882 bonds (distance) P-C4' energy: -70.033 flat angles C4'-P-C4' energy: -55.262 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -74.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -772.560551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.560551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.560551 (E_RNA) where: Base-Base interactions energy: -510.592 where: short stacking energy: -209.722 Base-Backbone interact. energy: -0.088 local terms energy: -261.881421 where: bonds (distance) C4'-P energy: -45.312 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -60.772 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: -45.033 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: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -760.719709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.719709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.719709 (E_RNA) where: Base-Base interactions energy: -499.044 where: short stacking energy: -216.435 Base-Backbone interact. energy: -1.257 local terms energy: -260.418521 where: bonds (distance) C4'-P energy: -58.199 bonds (distance) P-C4' energy: -52.473 flat angles C4'-P-C4' energy: -59.542 flat angles P-C4'-P energy: -30.010 tors. eta vs tors. theta energy: -60.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -465.090324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.090324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.090324 (E_RNA) where: Base-Base interactions energy: -239.938 where: short stacking energy: -129.472 Base-Backbone interact. energy: -1.092 local terms energy: -224.059845 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -61.067 flat angles C4'-P-C4' energy: -58.344 flat angles P-C4'-P energy: -25.210 tors. eta vs tors. theta energy: -24.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -344.010590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.010590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.010590 (E_RNA) where: Base-Base interactions energy: -162.705 where: short stacking energy: -117.942 Base-Backbone interact. energy: -0.046 local terms energy: -181.259596 where: bonds (distance) C4'-P energy: -51.740 bonds (distance) P-C4' energy: -58.253 flat angles C4'-P-C4' energy: -38.986 flat angles P-C4'-P energy: -16.578 tors. eta vs tors. theta energy: -15.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -264.227683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.227683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.227683 (E_RNA) where: Base-Base interactions energy: -87.948 where: short stacking energy: -63.158 Base-Backbone interact. energy: -2.537 local terms energy: -173.742023 where: bonds (distance) C4'-P energy: -55.628 bonds (distance) P-C4' energy: -61.206 flat angles C4'-P-C4' energy: -44.958 flat angles P-C4'-P energy: -32.176 tors. eta vs tors. theta energy: 20.226 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: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1039.147186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.147186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.147186 (E_RNA) where: Base-Base interactions energy: -716.817 where: short stacking energy: -311.229 Base-Backbone interact. energy: -1.728 local terms energy: -320.602582 where: bonds (distance) C4'-P energy: -54.311 bonds (distance) P-C4' energy: -72.392 flat angles C4'-P-C4' energy: -67.755 flat angles P-C4'-P energy: -47.160 tors. eta vs tors. theta energy: -78.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -999.830933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.830933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.830933 (E_RNA) where: Base-Base interactions energy: -676.374 where: short stacking energy: -284.942 Base-Backbone interact. energy: -1.193 local terms energy: -322.264508 where: bonds (distance) C4'-P energy: -62.568 bonds (distance) P-C4' energy: -65.647 flat angles C4'-P-C4' energy: -71.146 flat angles P-C4'-P energy: -39.022 tors. eta vs tors. theta energy: -83.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -953.743635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.743635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.743635 (E_RNA) where: Base-Base interactions energy: -636.259 where: short stacking energy: -280.127 Base-Backbone interact. energy: -1.307 local terms energy: -316.177710 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -65.235 flat angles C4'-P-C4' energy: -59.473 flat angles P-C4'-P energy: -44.237 tors. eta vs tors. theta energy: -83.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -975.822361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.822361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.822361 (E_RNA) where: Base-Base interactions energy: -674.023 where: short stacking energy: -285.422 Base-Backbone interact. energy: 0.002 local terms energy: -301.800948 where: bonds (distance) C4'-P energy: -59.478 bonds (distance) P-C4' energy: -56.223 flat angles C4'-P-C4' energy: -71.315 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: -68.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -878.702064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.702064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.702064 (E_RNA) where: Base-Base interactions energy: -562.898 where: short stacking energy: -272.804 Base-Backbone interact. energy: -1.768 local terms energy: -314.035475 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -62.745 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -40.293 tors. eta vs tors. theta energy: -79.523 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: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -780.126949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.126949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.126949 (E_RNA) where: Base-Base interactions energy: -528.519 where: short stacking energy: -249.465 Base-Backbone interact. energy: -0.790 local terms energy: -250.818211 where: bonds (distance) C4'-P energy: -47.235 bonds (distance) P-C4' energy: -42.944 flat angles C4'-P-C4' energy: -58.990 flat angles P-C4'-P energy: -40.788 tors. eta vs tors. theta energy: -60.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -746.736587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.736587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.736587 (E_RNA) where: Base-Base interactions energy: -477.846 where: short stacking energy: -227.503 Base-Backbone interact. energy: 1.665 local terms energy: -270.555792 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -61.386 flat angles C4'-P-C4' energy: -65.076 flat angles P-C4'-P energy: -32.878 tors. eta vs tors. theta energy: -60.913 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: 357 Temperature: 1.250000 Total energy: -499.305436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.305436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.305436 (E_RNA) where: Base-Base interactions energy: -289.694 where: short stacking energy: -152.304 Base-Backbone interact. energy: -1.884 local terms energy: -207.727467 where: bonds (distance) C4'-P energy: -54.684 bonds (distance) P-C4' energy: -56.875 flat angles C4'-P-C4' energy: -47.291 flat angles P-C4'-P energy: -31.395 tors. eta vs tors. theta energy: -17.482 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: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -360.609105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.609105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.609105 (E_RNA) where: Base-Base interactions energy: -162.798 where: short stacking energy: -98.757 Base-Backbone interact. energy: -0.955 local terms energy: -196.856657 where: bonds (distance) C4'-P energy: -58.952 bonds (distance) P-C4' energy: -59.293 flat angles C4'-P-C4' energy: -51.908 flat angles P-C4'-P energy: -20.395 tors. eta vs tors. theta energy: -6.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -272.179005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.179005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.179005 (E_RNA) where: Base-Base interactions energy: -108.092 where: short stacking energy: -74.173 Base-Backbone interact. energy: 1.338 local terms energy: -165.424345 where: bonds (distance) C4'-P energy: -51.505 bonds (distance) P-C4' energy: -54.558 flat angles C4'-P-C4' energy: -38.266 flat angles P-C4'-P energy: -18.165 tors. eta vs tors. theta energy: -2.929 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: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1040.207588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.207588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.207588 (E_RNA) where: Base-Base interactions energy: -704.169 where: short stacking energy: -304.302 Base-Backbone interact. energy: -1.879 local terms energy: -334.160081 where: bonds (distance) C4'-P energy: -65.181 bonds (distance) P-C4' energy: -71.147 flat angles C4'-P-C4' energy: -67.429 flat angles P-C4'-P energy: -50.309 tors. eta vs tors. theta energy: -80.094 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: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1017.030927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.030927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.030927 (E_RNA) where: Base-Base interactions energy: -690.891 where: short stacking energy: -297.848 Base-Backbone interact. energy: -2.424 local terms energy: -323.716080 where: bonds (distance) C4'-P energy: -65.795 bonds (distance) P-C4' energy: -69.923 flat angles C4'-P-C4' energy: -72.718 flat angles P-C4'-P energy: -27.063 tors. eta vs tors. theta energy: -88.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -941.020027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.020027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.020027 (E_RNA) where: Base-Base interactions energy: -627.911 where: short stacking energy: -266.783 Base-Backbone interact. energy: -1.486 local terms energy: -311.622765 where: bonds (distance) C4'-P energy: -64.794 bonds (distance) P-C4' energy: -57.797 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -52.108 tors. eta vs tors. theta energy: -70.553 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: 358 Temperature: 1.050000 Total energy: -954.461577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.461577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.461577 (E_RNA) where: Base-Base interactions energy: -642.586 where: short stacking energy: -268.784 Base-Backbone interact. energy: -2.635 local terms energy: -309.240333 where: bonds (distance) C4'-P energy: -49.545 bonds (distance) P-C4' energy: -59.746 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: -74.887 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: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -861.032684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.032684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.032684 (E_RNA) where: Base-Base interactions energy: -556.808 where: short stacking energy: -275.736 Base-Backbone interact. energy: -0.323 local terms energy: -303.901447 where: bonds (distance) C4'-P energy: -53.713 bonds (distance) P-C4' energy: -66.906 flat angles C4'-P-C4' energy: -65.913 flat angles P-C4'-P energy: -36.562 tors. eta vs tors. theta energy: -80.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -790.485711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.485711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.485711 (E_RNA) where: Base-Base interactions energy: -519.563 where: short stacking energy: -231.965 Base-Backbone interact. energy: -0.092 local terms energy: -270.831334 where: bonds (distance) C4'-P energy: -60.011 bonds (distance) P-C4' energy: -57.108 flat angles C4'-P-C4' energy: -52.533 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -56.973 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: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -723.201861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.201861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.201861 (E_RNA) where: Base-Base interactions energy: -464.599 where: short stacking energy: -217.645 Base-Backbone interact. energy: 0.263 local terms energy: -258.866350 where: bonds (distance) C4'-P energy: -44.269 bonds (distance) P-C4' energy: -64.844 flat angles C4'-P-C4' energy: -63.563 flat angles P-C4'-P energy: -29.007 tors. eta vs tors. theta energy: -57.183 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: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -477.434956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.434956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.434956 (E_RNA) where: Base-Base interactions energy: -249.996 where: short stacking energy: -115.906 Base-Backbone interact. energy: -1.284 local terms energy: -226.154875 where: bonds (distance) C4'-P energy: -66.324 bonds (distance) P-C4' energy: -65.523 flat angles C4'-P-C4' energy: -52.046 flat angles P-C4'-P energy: -26.636 tors. eta vs tors. theta energy: -15.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -292.158922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.158922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.158922 (E_RNA) where: Base-Base interactions energy: -131.713 where: short stacking energy: -73.189 Base-Backbone interact. energy: 2.312 local terms energy: -162.757872 where: bonds (distance) C4'-P energy: -48.578 bonds (distance) P-C4' energy: -44.476 flat angles C4'-P-C4' energy: -52.283 flat angles P-C4'-P energy: -31.009 tors. eta vs tors. theta energy: 13.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -355.804026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.804026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.804026 (E_RNA) where: Base-Base interactions energy: -178.216 where: short stacking energy: -112.806 Base-Backbone interact. energy: 0.343 local terms energy: -177.930844 where: bonds (distance) C4'-P energy: -52.443 bonds (distance) P-C4' energy: -54.092 flat angles C4'-P-C4' energy: -41.377 flat angles P-C4'-P energy: -19.407 tors. eta vs tors. theta energy: -10.611 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: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1032.759252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.759252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.759252 (E_RNA) where: Base-Base interactions energy: -691.895 where: short stacking energy: -295.942 Base-Backbone interact. energy: -0.158 local terms energy: -340.706917 where: bonds (distance) C4'-P energy: -61.886 bonds (distance) P-C4' energy: -67.551 flat angles C4'-P-C4' energy: -77.431 flat angles P-C4'-P energy: -54.493 tors. eta vs tors. theta energy: -79.346 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: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1018.271644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.271644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.271644 (E_RNA) where: Base-Base interactions energy: -696.871 where: short stacking energy: -300.638 Base-Backbone interact. energy: -1.601 local terms energy: -319.800317 where: bonds (distance) C4'-P energy: -67.572 bonds (distance) P-C4' energy: -56.768 flat angles C4'-P-C4' energy: -68.905 flat angles P-C4'-P energy: -39.705 tors. eta vs tors. theta energy: -86.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -956.675896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.675896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.675896 (E_RNA) where: Base-Base interactions energy: -639.816 where: short stacking energy: -298.982 Base-Backbone interact. energy: -0.605 local terms energy: -316.254760 where: bonds (distance) C4'-P energy: -60.481 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -72.689 flat angles P-C4'-P energy: -47.804 tors. eta vs tors. theta energy: -77.779 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: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -958.239231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.239231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.239231 (E_RNA) where: Base-Base interactions energy: -651.187 where: short stacking energy: -282.853 Base-Backbone interact. energy: -0.980 local terms energy: -306.072787 where: bonds (distance) C4'-P energy: -65.615 bonds (distance) P-C4' energy: -66.937 flat angles C4'-P-C4' energy: -62.018 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -70.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -862.935529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.935529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.935529 (E_RNA) where: Base-Base interactions energy: -561.058 where: short stacking energy: -266.127 Base-Backbone interact. energy: -1.263 local terms energy: -300.614112 where: bonds (distance) C4'-P energy: -49.052 bonds (distance) P-C4' energy: -56.534 flat angles C4'-P-C4' energy: -71.949 flat angles P-C4'-P energy: -46.693 tors. eta vs tors. theta energy: -76.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -792.702585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.702585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.702585 (E_RNA) where: Base-Base interactions energy: -532.646 where: short stacking energy: -251.589 Base-Backbone interact. energy: -0.120 local terms energy: -259.936902 where: bonds (distance) C4'-P energy: -53.709 bonds (distance) P-C4' energy: -53.568 flat angles C4'-P-C4' energy: -55.076 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -59.378 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: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -712.481723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.481723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.481723 (E_RNA) where: Base-Base interactions energy: -480.263 where: short stacking energy: -203.634 Base-Backbone interact. energy: -1.790 local terms energy: -230.429268 where: bonds (distance) C4'-P energy: -45.690 bonds (distance) P-C4' energy: -57.333 flat angles C4'-P-C4' energy: -53.639 flat angles P-C4'-P energy: -30.486 tors. eta vs tors. theta energy: -43.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -479.908693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.908693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.908693 (E_RNA) where: Base-Base interactions energy: -268.448 where: short stacking energy: -132.701 Base-Backbone interact. energy: -0.553 local terms energy: -210.908240 where: bonds (distance) C4'-P energy: -60.970 bonds (distance) P-C4' energy: -58.187 flat angles C4'-P-C4' energy: -46.854 flat angles P-C4'-P energy: -27.296 tors. eta vs tors. theta energy: -17.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -323.539941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.539941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.539941 (E_RNA) where: Base-Base interactions energy: -155.335 where: short stacking energy: -101.098 Base-Backbone interact. energy: 0.874 local terms energy: -169.078768 where: bonds (distance) C4'-P energy: -32.577 bonds (distance) P-C4' energy: -52.177 flat angles C4'-P-C4' energy: -55.716 flat angles P-C4'-P energy: -34.287 tors. eta vs tors. theta energy: 5.679 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: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -362.688493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.688493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.688493 (E_RNA) where: Base-Base interactions energy: -197.558 where: short stacking energy: -112.569 Base-Backbone interact. energy: 0.554 local terms energy: -165.684631 where: bonds (distance) C4'-P energy: -40.182 bonds (distance) P-C4' energy: -56.385 flat angles C4'-P-C4' energy: -36.828 flat angles P-C4'-P energy: -33.841 tors. eta vs tors. theta energy: 1.552 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: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1053.870985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.870985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.870985 (E_RNA) where: Base-Base interactions energy: -733.713 where: short stacking energy: -327.199 Base-Backbone interact. energy: -1.082 local terms energy: -319.075942 where: bonds (distance) C4'-P energy: -52.444 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -73.408 flat angles P-C4'-P energy: -33.546 tors. eta vs tors. theta energy: -93.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1022.325759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.325759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.325759 (E_RNA) where: Base-Base interactions energy: -688.151 where: short stacking energy: -309.326 Base-Backbone interact. energy: -1.241 local terms energy: -332.933286 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -73.106 flat angles P-C4'-P energy: -49.285 tors. eta vs tors. theta energy: -86.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -956.314789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.314789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.314789 (E_RNA) where: Base-Base interactions energy: -640.149 where: short stacking energy: -279.387 Base-Backbone interact. energy: 1.283 local terms energy: -317.447933 where: bonds (distance) C4'-P energy: -59.192 bonds (distance) P-C4' energy: -61.904 flat angles C4'-P-C4' energy: -74.657 flat angles P-C4'-P energy: -46.911 tors. eta vs tors. theta energy: -74.783 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: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -947.908761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.908761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.908761 (E_RNA) where: Base-Base interactions energy: -623.185 where: short stacking energy: -281.658 Base-Backbone interact. energy: 2.044 local terms energy: -326.768055 where: bonds (distance) C4'-P energy: -66.355 bonds (distance) P-C4' energy: -66.868 flat angles C4'-P-C4' energy: -73.761 flat angles P-C4'-P energy: -39.984 tors. eta vs tors. theta energy: -79.800 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: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -858.672140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.672140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.672140 (E_RNA) where: Base-Base interactions energy: -559.953 where: short stacking energy: -258.559 Base-Backbone interact. energy: 2.888 local terms energy: -301.607022 where: bonds (distance) C4'-P energy: -51.444 bonds (distance) P-C4' energy: -54.389 flat angles C4'-P-C4' energy: -67.871 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -79.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -831.382174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.382174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.382174 (E_RNA) where: Base-Base interactions energy: -553.714 where: short stacking energy: -258.165 Base-Backbone interact. energy: -0.158 local terms energy: -277.509604 where: bonds (distance) C4'-P energy: -44.411 bonds (distance) P-C4' energy: -47.849 flat angles C4'-P-C4' energy: -64.141 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -75.009 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: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -715.290044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.290044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.290044 (E_RNA) where: Base-Base interactions energy: -460.588 where: short stacking energy: -199.287 Base-Backbone interact. energy: -0.819 local terms energy: -253.883283 where: bonds (distance) C4'-P energy: -57.787 bonds (distance) P-C4' energy: -51.457 flat angles C4'-P-C4' energy: -55.056 flat angles P-C4'-P energy: -37.306 tors. eta vs tors. theta energy: -52.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -500.223588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.223588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.223588 (E_RNA) where: Base-Base interactions energy: -289.115 where: short stacking energy: -145.015 Base-Backbone interact. energy: -2.048 local terms energy: -209.060206 where: bonds (distance) C4'-P energy: -43.865 bonds (distance) P-C4' energy: -52.387 flat angles C4'-P-C4' energy: -54.830 flat angles P-C4'-P energy: -42.854 tors. eta vs tors. theta energy: -15.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -403.077495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.077495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.077495 (E_RNA) where: Base-Base interactions energy: -218.055 where: short stacking energy: -112.085 Base-Backbone interact. energy: -1.312 local terms energy: -183.710475 where: bonds (distance) C4'-P energy: -54.473 bonds (distance) P-C4' energy: -50.131 flat angles C4'-P-C4' energy: -42.591 flat angles P-C4'-P energy: -27.174 tors. eta vs tors. theta energy: -9.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -294.040427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.040427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.040427 (E_RNA) where: Base-Base interactions energy: -104.257 where: short stacking energy: -90.717 Base-Backbone interact. energy: 0.336 local terms energy: -190.119416 where: bonds (distance) C4'-P energy: -57.218 bonds (distance) P-C4' energy: -48.933 flat angles C4'-P-C4' energy: -48.850 flat angles P-C4'-P energy: -27.090 tors. eta vs tors. theta energy: -8.029 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: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1044.944766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.944766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.944766 (E_RNA) where: Base-Base interactions energy: -711.459 where: short stacking energy: -323.782 Base-Backbone interact. energy: -1.368 local terms energy: -332.117477 where: bonds (distance) C4'-P energy: -59.111 bonds (distance) P-C4' energy: -62.732 flat angles C4'-P-C4' energy: -76.753 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -87.382 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: 9 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1035.105035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.105035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.105035 (E_RNA) where: Base-Base interactions energy: -718.183 where: short stacking energy: -313.504 Base-Backbone interact. energy: -0.014 local terms energy: -316.907464 where: bonds (distance) C4'-P energy: -48.760 bonds (distance) P-C4' energy: -72.058 flat angles C4'-P-C4' energy: -69.633 flat angles P-C4'-P energy: -45.951 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: 3, replica: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -954.919460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.919460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.919460 (E_RNA) where: Base-Base interactions energy: -646.143 where: short stacking energy: -277.878 Base-Backbone interact. energy: -2.017 local terms energy: -306.760158 where: bonds (distance) C4'-P energy: -59.691 bonds (distance) P-C4' energy: -65.341 flat angles C4'-P-C4' energy: -59.870 flat angles P-C4'-P energy: -46.495 tors. eta vs tors. theta energy: -75.363 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: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -908.626101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.626101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.626101 (E_RNA) where: Base-Base interactions energy: -600.495 where: short stacking energy: -255.815 Base-Backbone interact. energy: 1.712 local terms energy: -309.843279 where: bonds (distance) C4'-P energy: -61.327 bonds (distance) P-C4' energy: -64.926 flat angles C4'-P-C4' energy: -72.003 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -66.092 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: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -917.081987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.081987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.081987 (E_RNA) where: Base-Base interactions energy: -601.582 where: short stacking energy: -295.994 Base-Backbone interact. energy: -0.869 local terms energy: -314.631349 where: bonds (distance) C4'-P energy: -60.439 bonds (distance) P-C4' energy: -58.135 flat angles C4'-P-C4' energy: -72.873 flat angles P-C4'-P energy: -45.558 tors. eta vs tors. theta energy: -77.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -806.516685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.516685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.516685 (E_RNA) where: Base-Base interactions energy: -515.480 where: short stacking energy: -228.036 Base-Backbone interact. energy: 1.990 local terms energy: -293.027241 where: bonds (distance) C4'-P energy: -60.463 bonds (distance) P-C4' energy: -58.261 flat angles C4'-P-C4' energy: -65.711 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -70.367 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: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -699.012678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.012678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.012678 (E_RNA) where: Base-Base interactions energy: -449.704 where: short stacking energy: -196.873 Base-Backbone interact. energy: -0.208 local terms energy: -249.101087 where: bonds (distance) C4'-P energy: -51.318 bonds (distance) P-C4' energy: -60.455 flat angles C4'-P-C4' energy: -58.369 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: -43.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -480.794278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.794278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.794278 (E_RNA) where: Base-Base interactions energy: -276.480 where: short stacking energy: -141.327 Base-Backbone interact. energy: -1.400 local terms energy: -202.914445 where: bonds (distance) C4'-P energy: -46.707 bonds (distance) P-C4' energy: -57.722 flat angles C4'-P-C4' energy: -49.707 flat angles P-C4'-P energy: -41.269 tors. eta vs tors. theta energy: -7.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -447.656784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.656784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.656784 (E_RNA) where: Base-Base interactions energy: -262.195 where: short stacking energy: -125.710 Base-Backbone interact. energy: -2.651 local terms energy: -182.810235 where: bonds (distance) C4'-P energy: -47.375 bonds (distance) P-C4' energy: -58.973 flat angles C4'-P-C4' energy: -43.731 flat angles P-C4'-P energy: -29.221 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -267.718358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.718358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.718358 (E_RNA) where: Base-Base interactions energy: -98.091 where: short stacking energy: -84.225 Base-Backbone interact. energy: -1.531 local terms energy: -168.096105 where: bonds (distance) C4'-P energy: -49.379 bonds (distance) P-C4' energy: -54.020 flat angles C4'-P-C4' energy: -50.252 flat angles P-C4'-P energy: -12.036 tors. eta vs tors. theta energy: -2.409 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: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1039.263083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.263083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.263083 (E_RNA) where: Base-Base interactions energy: -714.023 where: short stacking energy: -295.271 Base-Backbone interact. energy: -2.643 local terms energy: -322.597049 where: bonds (distance) C4'-P energy: -52.769 bonds (distance) P-C4' energy: -73.735 flat angles C4'-P-C4' energy: -63.112 flat angles P-C4'-P energy: -45.009 tors. eta vs tors. theta energy: -87.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1040.612285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.612285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.612285 (E_RNA) where: Base-Base interactions energy: -722.563 where: short stacking energy: -321.700 Base-Backbone interact. energy: -2.270 local terms energy: -315.778940 where: bonds (distance) C4'-P energy: -61.777 bonds (distance) P-C4' energy: -65.888 flat angles C4'-P-C4' energy: -67.144 flat angles P-C4'-P energy: -29.043 tors. eta vs tors. theta energy: -91.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -968.205648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.205648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.205648 (E_RNA) where: Base-Base interactions energy: -669.317 where: short stacking energy: -287.532 Base-Backbone interact. energy: -0.658 local terms energy: -298.230526 where: bonds (distance) C4'-P energy: -60.876 bonds (distance) P-C4' energy: -55.817 flat angles C4'-P-C4' energy: -69.521 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -67.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -903.019540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.019540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.019540 (E_RNA) where: Base-Base interactions energy: -615.928 where: short stacking energy: -261.298 Base-Backbone interact. energy: -0.340 local terms energy: -286.751667 where: bonds (distance) C4'-P energy: -50.998 bonds (distance) P-C4' energy: -61.048 flat angles C4'-P-C4' energy: -55.309 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: -72.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -919.390400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.390400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.390400 (E_RNA) where: Base-Base interactions energy: -625.213 where: short stacking energy: -296.126 Base-Backbone interact. energy: -0.595 local terms energy: -293.582437 where: bonds (distance) C4'-P energy: -49.190 bonds (distance) P-C4' energy: -53.415 flat angles C4'-P-C4' energy: -56.474 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -87.832 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: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -794.242045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.242045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.242045 (E_RNA) where: Base-Base interactions energy: -533.115 where: short stacking energy: -249.308 Base-Backbone interact. energy: -0.377 local terms energy: -260.750129 where: bonds (distance) C4'-P energy: -41.724 bonds (distance) P-C4' energy: -51.093 flat angles C4'-P-C4' energy: -67.696 flat angles P-C4'-P energy: -40.800 tors. eta vs tors. theta energy: -59.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -698.696468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.696468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.696468 (E_RNA) where: Base-Base interactions energy: -448.191 where: short stacking energy: -202.457 Base-Backbone interact. energy: -1.226 local terms energy: -249.279613 where: bonds (distance) C4'-P energy: -40.651 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -60.930 flat angles P-C4'-P energy: -38.002 tors. eta vs tors. theta energy: -52.205 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: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -539.864297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.864297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.864297 (E_RNA) where: Base-Base interactions energy: -340.292 where: short stacking energy: -154.047 Base-Backbone interact. energy: 0.589 local terms energy: -200.160713 where: bonds (distance) C4'-P energy: -50.583 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -49.414 flat angles P-C4'-P energy: -28.188 tors. eta vs tors. theta energy: -10.429 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: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -467.270292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.270292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.270292 (E_RNA) where: Base-Base interactions energy: -291.021 where: short stacking energy: -133.358 Base-Backbone interact. energy: -3.247 local terms energy: -173.002604 where: bonds (distance) C4'-P energy: -42.496 bonds (distance) P-C4' energy: -54.984 flat angles C4'-P-C4' energy: -52.141 flat angles P-C4'-P energy: -24.302 tors. eta vs tors. theta energy: 0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -271.573297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.573297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.573297 (E_RNA) where: Base-Base interactions energy: -90.388 where: short stacking energy: -78.550 Base-Backbone interact. energy: 4.611 local terms energy: -185.796297 where: bonds (distance) C4'-P energy: -54.198 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -49.719 flat angles P-C4'-P energy: -20.992 tors. eta vs tors. theta energy: 2.750 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: 1, replica: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1053.135906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.135906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.135906 (E_RNA) where: Base-Base interactions energy: -717.229 where: short stacking energy: -292.386 Base-Backbone interact. energy: -3.499 local terms energy: -332.407479 where: bonds (distance) C4'-P energy: -69.914 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -66.911 flat angles P-C4'-P energy: -46.470 tors. eta vs tors. theta energy: -84.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1049.342673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.342673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.342673 (E_RNA) where: Base-Base interactions energy: -725.826 where: short stacking energy: -321.724 Base-Backbone interact. energy: -1.389 local terms energy: -322.127746 where: bonds (distance) C4'-P energy: -57.154 bonds (distance) P-C4' energy: -59.076 flat angles C4'-P-C4' energy: -70.058 flat angles P-C4'-P energy: -40.519 tors. eta vs tors. theta energy: -95.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -994.838891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.838891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.838891 (E_RNA) where: Base-Base interactions energy: -667.733 where: short stacking energy: -295.115 Base-Backbone interact. energy: -0.400 local terms energy: -326.705611 where: bonds (distance) C4'-P energy: -53.110 bonds (distance) P-C4' energy: -68.696 flat angles C4'-P-C4' energy: -66.702 flat angles P-C4'-P energy: -52.543 tors. eta vs tors. theta energy: -85.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -924.855990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.855990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.855990 (E_RNA) where: Base-Base interactions energy: -608.455 where: short stacking energy: -272.555 Base-Backbone interact. energy: 0.005 local terms energy: -316.405703 where: bonds (distance) C4'-P energy: -68.467 bonds (distance) P-C4' energy: -55.998 flat angles C4'-P-C4' energy: -67.363 flat angles P-C4'-P energy: -41.317 tors. eta vs tors. theta energy: -83.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -912.247262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.247262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.247262 (E_RNA) where: Base-Base interactions energy: -606.334 where: short stacking energy: -273.785 Base-Backbone interact. energy: -0.319 local terms energy: -305.594819 where: bonds (distance) C4'-P energy: -61.659 bonds (distance) P-C4' energy: -54.541 flat angles C4'-P-C4' energy: -68.721 flat angles P-C4'-P energy: -39.408 tors. eta vs tors. theta energy: -81.266 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: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -809.203592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.203592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.203592 (E_RNA) where: Base-Base interactions energy: -524.044 where: short stacking energy: -232.289 Base-Backbone interact. energy: -1.070 local terms energy: -284.090005 where: bonds (distance) C4'-P energy: -48.832 bonds (distance) P-C4' energy: -62.834 flat angles C4'-P-C4' energy: -59.263 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -69.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -713.559421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.559421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.559421 (E_RNA) where: Base-Base interactions energy: -456.422 where: short stacking energy: -192.696 Base-Backbone interact. energy: -1.449 local terms energy: -255.688328 where: bonds (distance) C4'-P energy: -56.952 bonds (distance) P-C4' energy: -61.404 flat angles C4'-P-C4' energy: -56.429 flat angles P-C4'-P energy: -39.872 tors. eta vs tors. theta energy: -41.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -524.129178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.129178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.129178 (E_RNA) where: Base-Base interactions energy: -310.638 where: short stacking energy: -163.176 Base-Backbone interact. energy: -1.110 local terms energy: -212.381342 where: bonds (distance) C4'-P energy: -47.272 bonds (distance) P-C4' energy: -52.055 flat angles C4'-P-C4' energy: -51.094 flat angles P-C4'-P energy: -27.992 tors. eta vs tors. theta energy: -33.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -483.214550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.214550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.214550 (E_RNA) where: Base-Base interactions energy: -291.364 where: short stacking energy: -133.406 Base-Backbone interact. energy: 0.210 local terms energy: -192.059805 where: bonds (distance) C4'-P energy: -47.891 bonds (distance) P-C4' energy: -47.829 flat angles C4'-P-C4' energy: -49.152 flat angles P-C4'-P energy: -33.328 tors. eta vs tors. theta energy: -13.860 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: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -275.770332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.770332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.770332 (E_RNA) where: Base-Base interactions energy: -126.133 where: short stacking energy: -85.240 Base-Backbone interact. energy: 2.044 local terms energy: -151.681352 where: bonds (distance) C4'-P energy: -56.359 bonds (distance) P-C4' energy: -47.659 flat angles C4'-P-C4' energy: -40.589 flat angles P-C4'-P energy: -18.621 tors. eta vs tors. theta energy: 11.547 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: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1057.415238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.415238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.415238 (E_RNA) where: Base-Base interactions energy: -707.049 where: short stacking energy: -318.679 Base-Backbone interact. energy: -2.119 local terms energy: -348.247676 where: bonds (distance) C4'-P energy: -60.141 bonds (distance) P-C4' energy: -71.551 flat angles C4'-P-C4' energy: -72.655 flat angles P-C4'-P energy: -51.761 tors. eta vs tors. theta energy: -92.140 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: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1051.970716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.970716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.970716 (E_RNA) where: Base-Base interactions energy: -708.117 where: short stacking energy: -304.098 Base-Backbone interact. energy: -2.752 local terms energy: -341.101950 where: bonds (distance) C4'-P energy: -68.582 bonds (distance) P-C4' energy: -61.367 flat angles C4'-P-C4' energy: -71.318 flat angles P-C4'-P energy: -45.969 tors. eta vs tors. theta energy: -93.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -993.960888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.960888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.960888 (E_RNA) where: Base-Base interactions energy: -680.181 where: short stacking energy: -299.107 Base-Backbone interact. energy: -0.879 local terms energy: -312.901229 where: bonds (distance) C4'-P energy: -49.501 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -76.336 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -80.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -943.859333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.859333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.859333 (E_RNA) where: Base-Base interactions energy: -623.729 where: short stacking energy: -283.780 Base-Backbone interact. energy: 1.061 local terms energy: -321.190831 where: bonds (distance) C4'-P energy: -60.148 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -73.663 flat angles P-C4'-P energy: -48.493 tors. eta vs tors. theta energy: -76.685 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: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -911.004536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.004536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.004536 (E_RNA) where: Base-Base interactions energy: -611.743 where: short stacking energy: -288.502 Base-Backbone interact. energy: 1.868 local terms energy: -301.129201 where: bonds (distance) C4'-P energy: -56.074 bonds (distance) P-C4' energy: -58.918 flat angles C4'-P-C4' energy: -63.622 flat angles P-C4'-P energy: -36.922 tors. eta vs tors. theta energy: -85.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -820.495632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.495632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.495632 (E_RNA) where: Base-Base interactions energy: -532.881 where: short stacking energy: -229.896 Base-Backbone interact. energy: -1.148 local terms energy: -286.466966 where: bonds (distance) C4'-P energy: -48.949 bonds (distance) P-C4' energy: -58.856 flat angles C4'-P-C4' energy: -61.314 flat angles P-C4'-P energy: -45.944 tors. eta vs tors. theta energy: -71.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -747.323838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.323838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.323838 (E_RNA) where: Base-Base interactions energy: -490.146 where: short stacking energy: -214.850 Base-Backbone interact. energy: 0.627 local terms energy: -257.804720 where: bonds (distance) C4'-P energy: -49.063 bonds (distance) P-C4' energy: -45.343 flat angles C4'-P-C4' energy: -59.939 flat angles P-C4'-P energy: -43.277 tors. eta vs tors. theta energy: -60.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -581.916516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.916516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.916516 (E_RNA) where: Base-Base interactions energy: -350.444 where: short stacking energy: -186.322 Base-Backbone interact. energy: -1.358 local terms energy: -230.114318 where: bonds (distance) C4'-P energy: -49.013 bonds (distance) P-C4' energy: -50.276 flat angles C4'-P-C4' energy: -50.341 flat angles P-C4'-P energy: -37.397 tors. eta vs tors. theta energy: -43.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -523.270699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.270699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.270699 (E_RNA) where: Base-Base interactions energy: -324.618 where: short stacking energy: -142.201 Base-Backbone interact. energy: -1.469 local terms energy: -197.183031 where: bonds (distance) C4'-P energy: -46.586 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -47.109 flat angles P-C4'-P energy: -25.857 tors. eta vs tors. theta energy: -19.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -278.325644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.325644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.325644 (E_RNA) where: Base-Base interactions energy: -109.857 where: short stacking energy: -74.440 Base-Backbone interact. energy: 0.734 local terms energy: -169.202726 where: bonds (distance) C4'-P energy: -46.948 bonds (distance) P-C4' energy: -59.935 flat angles C4'-P-C4' energy: -48.113 flat angles P-C4'-P energy: -26.472 tors. eta vs tors. theta energy: 12.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1074.789146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.789146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.789146 (E_RNA) where: Base-Base interactions energy: -755.371 where: short stacking energy: -323.915 Base-Backbone interact. energy: 0.945 local terms energy: -320.362562 where: bonds (distance) C4'-P energy: -59.775 bonds (distance) P-C4' energy: -50.898 flat angles C4'-P-C4' energy: -76.410 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -90.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1041.485866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.485866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.485866 (E_RNA) where: Base-Base interactions energy: -706.647 where: short stacking energy: -308.784 Base-Backbone interact. energy: -1.551 local terms energy: -333.287158 where: bonds (distance) C4'-P energy: -64.898 bonds (distance) P-C4' energy: -65.977 flat angles C4'-P-C4' energy: -67.997 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -86.426 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: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1001.670748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.670748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.670748 (E_RNA) where: Base-Base interactions energy: -687.544 where: short stacking energy: -305.863 Base-Backbone interact. energy: 0.365 local terms energy: -314.491613 where: bonds (distance) C4'-P energy: -62.532 bonds (distance) P-C4' energy: -69.686 flat angles C4'-P-C4' energy: -55.281 flat angles P-C4'-P energy: -47.142 tors. eta vs tors. theta energy: -79.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -941.780532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.780532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.780532 (E_RNA) where: Base-Base interactions energy: -623.445 where: short stacking energy: -291.542 Base-Backbone interact. energy: -2.791 local terms energy: -315.544362 where: bonds (distance) C4'-P energy: -68.579 bonds (distance) P-C4' energy: -62.038 flat angles C4'-P-C4' energy: -66.440 flat angles P-C4'-P energy: -33.834 tors. eta vs tors. theta energy: -84.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -922.554014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.554014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.554014 (E_RNA) where: Base-Base interactions energy: -610.535 where: short stacking energy: -274.953 Base-Backbone interact. energy: -0.546 local terms energy: -311.472261 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -59.360 flat angles C4'-P-C4' energy: -74.170 flat angles P-C4'-P energy: -48.919 tors. eta vs tors. theta energy: -73.520 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: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -791.627578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.627578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.627578 (E_RNA) where: Base-Base interactions energy: -514.628 where: short stacking energy: -212.372 Base-Backbone interact. energy: -1.408 local terms energy: -275.591907 where: bonds (distance) C4'-P energy: -58.679 bonds (distance) P-C4' energy: -51.872 flat angles C4'-P-C4' energy: -62.297 flat angles P-C4'-P energy: -39.461 tors. eta vs tors. theta energy: -63.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -706.579105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.579105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.579105 (E_RNA) where: Base-Base interactions energy: -443.835 where: short stacking energy: -192.503 Base-Backbone interact. energy: -0.140 local terms energy: -262.604142 where: bonds (distance) C4'-P energy: -49.471 bonds (distance) P-C4' energy: -68.468 flat angles C4'-P-C4' energy: -53.833 flat angles P-C4'-P energy: -46.248 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: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -548.957417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.957417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.957417 (E_RNA) where: Base-Base interactions energy: -323.066 where: short stacking energy: -155.729 Base-Backbone interact. energy: 2.226 local terms energy: -228.117533 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -61.444 flat angles C4'-P-C4' energy: -58.249 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: -18.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -553.523173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.523173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.523173 (E_RNA) where: Base-Base interactions energy: -331.713 where: short stacking energy: -166.157 Base-Backbone interact. energy: -0.832 local terms energy: -220.977390 where: bonds (distance) C4'-P energy: -53.672 bonds (distance) P-C4' energy: -50.752 flat angles C4'-P-C4' energy: -57.020 flat angles P-C4'-P energy: -27.338 tors. eta vs tors. theta energy: -32.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -299.780428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.780428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.780428 (E_RNA) where: Base-Base interactions energy: -116.616 where: short stacking energy: -87.761 Base-Backbone interact. energy: -2.865 local terms energy: -180.299495 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -55.413 flat angles C4'-P-C4' energy: -48.688 flat angles P-C4'-P energy: -30.389 tors. eta vs tors. theta energy: 5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1065.023284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.023284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.023284 (E_RNA) where: Base-Base interactions energy: -728.716 where: short stacking energy: -325.924 Base-Backbone interact. energy: -2.068 local terms energy: -334.239620 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -60.987 flat angles C4'-P-C4' energy: -78.000 flat angles P-C4'-P energy: -36.205 tors. eta vs tors. theta energy: -98.345 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: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1020.812541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.812541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.812541 (E_RNA) where: Base-Base interactions energy: -700.659 where: short stacking energy: -301.767 Base-Backbone interact. energy: -1.262 local terms energy: -318.891867 where: bonds (distance) C4'-P energy: -65.636 bonds (distance) P-C4' energy: -60.241 flat angles C4'-P-C4' energy: -74.101 flat angles P-C4'-P energy: -33.572 tors. eta vs tors. theta energy: -85.342 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: 366 Temperature: 1.000000 Total energy: -981.165187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.165187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.165187 (E_RNA) where: Base-Base interactions energy: -655.389 where: short stacking energy: -298.247 Base-Backbone interact. energy: -1.072 local terms energy: -324.704450 where: bonds (distance) C4'-P energy: -62.454 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -74.648 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -80.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -929.482658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.482658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.482658 (E_RNA) where: Base-Base interactions energy: -615.578 where: short stacking energy: -274.198 Base-Backbone interact. energy: -1.241 local terms energy: -312.663856 where: bonds (distance) C4'-P energy: -51.077 bonds (distance) P-C4' energy: -58.363 flat angles C4'-P-C4' energy: -72.833 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -83.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -907.084392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.084392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.084392 (E_RNA) where: Base-Base interactions energy: -585.204 where: short stacking energy: -253.083 Base-Backbone interact. energy: 0.914 local terms energy: -322.794442 where: bonds (distance) C4'-P energy: -63.901 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -68.983 flat angles P-C4'-P energy: -49.731 tors. eta vs tors. theta energy: -82.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -793.791731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.791731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.791731 (E_RNA) where: Base-Base interactions energy: -510.636 where: short stacking energy: -232.371 Base-Backbone interact. energy: -0.262 local terms energy: -282.893053 where: bonds (distance) C4'-P energy: -63.058 bonds (distance) P-C4' energy: -53.904 flat angles C4'-P-C4' energy: -61.204 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -62.838 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: 366 Temperature: 1.200000 Total energy: -691.786047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.786047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.786047 (E_RNA) where: Base-Base interactions energy: -439.764 where: short stacking energy: -204.475 Base-Backbone interact. energy: 0.088 local terms energy: -252.110052 where: bonds (distance) C4'-P energy: -55.606 bonds (distance) P-C4' energy: -53.691 flat angles C4'-P-C4' energy: -65.174 flat angles P-C4'-P energy: -28.082 tors. eta vs tors. theta energy: -49.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -593.082009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.082009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.082009 (E_RNA) where: Base-Base interactions energy: -362.003 where: short stacking energy: -179.706 Base-Backbone interact. energy: 4.594 local terms energy: -235.672443 where: bonds (distance) C4'-P energy: -43.873 bonds (distance) P-C4' energy: -62.878 flat angles C4'-P-C4' energy: -61.842 flat angles P-C4'-P energy: -34.123 tors. eta vs tors. theta energy: -32.956 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: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -429.197286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.197286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.197286 (E_RNA) where: Base-Base interactions energy: -221.475 where: short stacking energy: -118.716 Base-Backbone interact. energy: 1.737 local terms energy: -209.459295 where: bonds (distance) C4'-P energy: -50.834 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -52.926 flat angles P-C4'-P energy: -31.498 tors. eta vs tors. theta energy: -13.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -254.939225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.939225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.939225 (E_RNA) where: Base-Base interactions energy: -88.618 where: short stacking energy: -66.944 Base-Backbone interact. energy: -1.176 local terms energy: -165.144889 where: bonds (distance) C4'-P energy: -46.690 bonds (distance) P-C4' energy: -54.920 flat angles C4'-P-C4' energy: -41.139 flat angles P-C4'-P energy: -23.006 tors. eta vs tors. theta energy: 0.611 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: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1105.505501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.505501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.505501 (E_RNA) where: Base-Base interactions energy: -760.733 where: short stacking energy: -334.435 Base-Backbone interact. energy: -1.634 local terms energy: -343.138559 where: bonds (distance) C4'-P energy: -53.529 bonds (distance) P-C4' energy: -63.048 flat angles C4'-P-C4' energy: -72.526 flat angles P-C4'-P energy: -58.569 tors. eta vs tors. theta energy: -95.466 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: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1000.940489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.940489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.940489 (E_RNA) where: Base-Base interactions energy: -676.685 where: short stacking energy: -317.303 Base-Backbone interact. energy: -1.678 local terms energy: -322.577778 where: bonds (distance) C4'-P energy: -66.427 bonds (distance) P-C4' energy: -64.181 flat angles C4'-P-C4' energy: -73.028 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -80.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -966.354992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.354992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.354992 (E_RNA) where: Base-Base interactions energy: -659.043 where: short stacking energy: -287.309 Base-Backbone interact. energy: 0.330 local terms energy: -307.641062 where: bonds (distance) C4'-P energy: -56.167 bonds (distance) P-C4' energy: -66.431 flat angles C4'-P-C4' energy: -64.188 flat angles P-C4'-P energy: -40.254 tors. eta vs tors. theta energy: -80.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -936.450715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.450715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.450715 (E_RNA) where: Base-Base interactions energy: -622.115 where: short stacking energy: -285.978 Base-Backbone interact. energy: -2.197 local terms energy: -312.138273 where: bonds (distance) C4'-P energy: -58.745 bonds (distance) P-C4' energy: -57.818 flat angles C4'-P-C4' energy: -72.756 flat angles P-C4'-P energy: -40.403 tors. eta vs tors. theta energy: -82.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -908.066705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.066705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.066705 (E_RNA) where: Base-Base interactions energy: -611.872 where: short stacking energy: -273.189 Base-Backbone interact. energy: -0.914 local terms energy: -295.280583 where: bonds (distance) C4'-P energy: -55.460 bonds (distance) P-C4' energy: -42.722 flat angles C4'-P-C4' energy: -68.370 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -84.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -801.752783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.752783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.752783 (E_RNA) where: Base-Base interactions energy: -527.958 where: short stacking energy: -246.355 Base-Backbone interact. energy: -0.405 local terms energy: -273.388933 where: bonds (distance) C4'-P energy: -49.130 bonds (distance) P-C4' energy: -59.136 flat angles C4'-P-C4' energy: -57.993 flat angles P-C4'-P energy: -43.172 tors. eta vs tors. theta energy: -63.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -688.865572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.865572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.865572 (E_RNA) where: Base-Base interactions energy: -445.349 where: short stacking energy: -209.538 Base-Backbone interact. energy: -0.421 local terms energy: -243.095470 where: bonds (distance) C4'-P energy: -51.277 bonds (distance) P-C4' energy: -55.367 flat angles C4'-P-C4' energy: -54.617 flat angles P-C4'-P energy: -36.087 tors. eta vs tors. theta energy: -45.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -600.037752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.037752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.037752 (E_RNA) where: Base-Base interactions energy: -357.930 where: short stacking energy: -165.485 Base-Backbone interact. energy: 0.719 local terms energy: -242.826159 where: bonds (distance) C4'-P energy: -60.566 bonds (distance) P-C4' energy: -56.072 flat angles C4'-P-C4' energy: -61.106 flat angles P-C4'-P energy: -24.420 tors. eta vs tors. theta energy: -40.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -413.480657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.480657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.480657 (E_RNA) where: Base-Base interactions energy: -211.588 where: short stacking energy: -116.216 Base-Backbone interact. energy: 4.074 local terms energy: -205.966102 where: bonds (distance) C4'-P energy: -55.050 bonds (distance) P-C4' energy: -63.587 flat angles C4'-P-C4' energy: -54.487 flat angles P-C4'-P energy: -27.081 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -258.341745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.341745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.341745 (E_RNA) where: Base-Base interactions energy: -102.613 where: short stacking energy: -67.250 Base-Backbone interact. energy: -1.776 local terms energy: -153.952770 where: bonds (distance) C4'-P energy: -48.349 bonds (distance) P-C4' energy: -49.480 flat angles C4'-P-C4' energy: -43.957 flat angles P-C4'-P energy: -23.151 tors. eta vs tors. theta energy: 10.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1070.890087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.890087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.890087 (E_RNA) where: Base-Base interactions energy: -736.695 where: short stacking energy: -330.425 Base-Backbone interact. energy: -1.315 local terms energy: -332.879777 where: bonds (distance) C4'-P energy: -65.190 bonds (distance) P-C4' energy: -63.013 flat angles C4'-P-C4' energy: -73.466 flat angles P-C4'-P energy: -41.671 tors. eta vs tors. theta energy: -89.539 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: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1010.727476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.727476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.727476 (E_RNA) where: Base-Base interactions energy: -675.657 where: short stacking energy: -309.720 Base-Backbone interact. energy: -2.740 local terms energy: -332.331080 where: bonds (distance) C4'-P energy: -59.896 bonds (distance) P-C4' energy: -68.658 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -44.203 tors. eta vs tors. theta energy: -89.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -956.963543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.963543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.963543 (E_RNA) where: Base-Base interactions energy: -640.441 where: short stacking energy: -288.019 Base-Backbone interact. energy: -1.029 local terms energy: -315.493710 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -55.989 flat angles C4'-P-C4' energy: -70.289 flat angles P-C4'-P energy: -47.095 tors. eta vs tors. theta energy: -78.255 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: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -964.715842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.715842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.715842 (E_RNA) where: Base-Base interactions energy: -663.360 where: short stacking energy: -304.433 Base-Backbone interact. energy: -1.304 local terms energy: -300.052107 where: bonds (distance) C4'-P energy: -55.576 bonds (distance) P-C4' energy: -53.648 flat angles C4'-P-C4' energy: -64.781 flat angles P-C4'-P energy: -36.636 tors. eta vs tors. theta energy: -89.411 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: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -890.753521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.753521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.753521 (E_RNA) where: Base-Base interactions energy: -609.666 where: short stacking energy: -276.350 Base-Backbone interact. energy: 0.491 local terms energy: -281.578243 where: bonds (distance) C4'-P energy: -48.230 bonds (distance) P-C4' energy: -49.046 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -34.611 tors. eta vs tors. theta energy: -80.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -797.338165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.338165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.338165 (E_RNA) where: Base-Base interactions energy: -506.288 where: short stacking energy: -241.423 Base-Backbone interact. energy: -0.269 local terms energy: -290.780780 where: bonds (distance) C4'-P energy: -65.961 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -56.456 flat angles P-C4'-P energy: -39.674 tors. eta vs tors. theta energy: -70.527 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: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -655.539549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.539549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.539549 (E_RNA) where: Base-Base interactions energy: -420.667 where: short stacking energy: -178.606 Base-Backbone interact. energy: -0.427 local terms energy: -234.445093 where: bonds (distance) C4'-P energy: -44.343 bonds (distance) P-C4' energy: -57.707 flat angles C4'-P-C4' energy: -61.651 flat angles P-C4'-P energy: -34.179 tors. eta vs tors. theta energy: -36.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -645.490200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.490200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.490200 (E_RNA) where: Base-Base interactions energy: -398.285 where: short stacking energy: -155.100 Base-Backbone interact. energy: -0.904 local terms energy: -246.301047 where: bonds (distance) C4'-P energy: -64.941 bonds (distance) P-C4' energy: -53.892 flat angles C4'-P-C4' energy: -56.271 flat angles P-C4'-P energy: -36.023 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: 9, replica: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -375.575168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.575168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.575168 (E_RNA) where: Base-Base interactions energy: -219.850 where: short stacking energy: -108.063 Base-Backbone interact. energy: -0.683 local terms energy: -155.042441 where: bonds (distance) C4'-P energy: -37.682 bonds (distance) P-C4' energy: -51.711 flat angles C4'-P-C4' energy: -53.368 flat angles P-C4'-P energy: -15.115 tors. eta vs tors. theta energy: 2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -278.108301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.108301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.108301 (E_RNA) where: Base-Base interactions energy: -104.357 where: short stacking energy: -81.821 Base-Backbone interact. energy: -1.081 local terms energy: -172.670414 where: bonds (distance) C4'-P energy: -45.989 bonds (distance) P-C4' energy: -55.338 flat angles C4'-P-C4' energy: -50.984 flat angles P-C4'-P energy: -27.437 tors. eta vs tors. theta energy: 7.077 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: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1066.088530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.088530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.088530 (E_RNA) where: Base-Base interactions energy: -724.001 where: short stacking energy: -304.397 Base-Backbone interact. energy: -1.833 local terms energy: -340.254925 where: bonds (distance) C4'-P energy: -65.521 bonds (distance) P-C4' energy: -58.554 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -50.668 tors. eta vs tors. theta energy: -91.657 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: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1019.996664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.996664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.996664 (E_RNA) where: Base-Base interactions energy: -693.726 where: short stacking energy: -301.430 Base-Backbone interact. energy: -1.079 local terms energy: -325.191833 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -63.668 flat angles C4'-P-C4' energy: -70.316 flat angles P-C4'-P energy: -40.194 tors. eta vs tors. theta energy: -87.324 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: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -953.208427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.208427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.208427 (E_RNA) where: Base-Base interactions energy: -632.757 where: short stacking energy: -283.063 Base-Backbone interact. energy: -0.905 local terms energy: -319.546263 where: bonds (distance) C4'-P energy: -53.412 bonds (distance) P-C4' energy: -66.006 flat angles C4'-P-C4' energy: -69.935 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: -84.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -963.770345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.770345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.770345 (E_RNA) where: Base-Base interactions energy: -639.749 where: short stacking energy: -287.028 Base-Backbone interact. energy: -1.935 local terms energy: -322.085791 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -43.146 tors. eta vs tors. theta energy: -84.210 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: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -910.071170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.071170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.071170 (E_RNA) where: Base-Base interactions energy: -620.544 where: short stacking energy: -269.345 Base-Backbone interact. energy: -2.122 local terms energy: -287.405854 where: bonds (distance) C4'-P energy: -56.583 bonds (distance) P-C4' energy: -58.788 flat angles C4'-P-C4' energy: -50.121 flat angles P-C4'-P energy: -37.570 tors. eta vs tors. theta energy: -84.344 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: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -788.750678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.750678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.750678 (E_RNA) where: Base-Base interactions energy: -505.520 where: short stacking energy: -240.984 Base-Backbone interact. energy: -1.715 local terms energy: -281.515118 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -52.584 flat angles C4'-P-C4' energy: -65.065 flat angles P-C4'-P energy: -33.440 tors. eta vs tors. theta energy: -67.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -650.185653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.185653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.185653 (E_RNA) where: Base-Base interactions energy: -411.135 where: short stacking energy: -200.648 Base-Backbone interact. energy: -3.608 local terms energy: -235.442812 where: bonds (distance) C4'-P energy: -42.600 bonds (distance) P-C4' energy: -49.727 flat angles C4'-P-C4' energy: -62.675 flat angles P-C4'-P energy: -30.277 tors. eta vs tors. theta energy: -50.164 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: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -623.469338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.469338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.469338 (E_RNA) where: Base-Base interactions energy: -394.265 where: short stacking energy: -170.605 Base-Backbone interact. energy: -1.970 local terms energy: -227.234600 where: bonds (distance) C4'-P energy: -50.925 bonds (distance) P-C4' energy: -50.826 flat angles C4'-P-C4' energy: -55.246 flat angles P-C4'-P energy: -29.658 tors. eta vs tors. theta energy: -40.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -435.067318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.067318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.067318 (E_RNA) where: Base-Base interactions energy: -230.615 where: short stacking energy: -113.196 Base-Backbone interact. energy: -1.435 local terms energy: -203.016547 where: bonds (distance) C4'-P energy: -49.331 bonds (distance) P-C4' energy: -64.629 flat angles C4'-P-C4' energy: -47.910 flat angles P-C4'-P energy: -30.933 tors. eta vs tors. theta energy: -10.213 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: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -263.978817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.978817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.978817 (E_RNA) where: Base-Base interactions energy: -96.919 where: short stacking energy: -81.446 Base-Backbone interact. energy: -0.746 local terms energy: -166.313915 where: bonds (distance) C4'-P energy: -51.826 bonds (distance) P-C4' energy: -51.012 flat angles C4'-P-C4' energy: -41.882 flat angles P-C4'-P energy: -25.275 tors. eta vs tors. theta energy: 3.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1064.808341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.808341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.808341 (E_RNA) where: Base-Base interactions energy: -715.767 where: short stacking energy: -322.153 Base-Backbone interact. energy: -1.609 local terms energy: -347.432568 where: bonds (distance) C4'-P energy: -58.007 bonds (distance) P-C4' energy: -70.333 flat angles C4'-P-C4' energy: -77.130 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -92.593 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: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1038.818222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.818222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.818222 (E_RNA) where: Base-Base interactions energy: -715.337 where: short stacking energy: -306.121 Base-Backbone interact. energy: -1.200 local terms energy: -322.280843 where: bonds (distance) C4'-P energy: -62.060 bonds (distance) P-C4' energy: -59.359 flat angles C4'-P-C4' energy: -64.682 flat angles P-C4'-P energy: -52.233 tors. eta vs tors. theta energy: -83.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -987.423549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.423549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.423549 (E_RNA) where: Base-Base interactions energy: -669.482 where: short stacking energy: -298.470 Base-Backbone interact. energy: -0.885 local terms energy: -317.056259 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -60.694 flat angles C4'-P-C4' energy: -61.827 flat angles P-C4'-P energy: -50.128 tors. eta vs tors. theta energy: -87.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -962.971820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.971820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.971820 (E_RNA) where: Base-Base interactions energy: -640.013 where: short stacking energy: -287.331 Base-Backbone interact. energy: -0.710 local terms energy: -322.248704 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -71.264 flat angles P-C4'-P energy: -42.091 tors. eta vs tors. theta energy: -88.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -925.434597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.434597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.434597 (E_RNA) where: Base-Base interactions energy: -604.781 where: short stacking energy: -279.795 Base-Backbone interact. energy: -0.173 local terms energy: -320.480497 where: bonds (distance) C4'-P energy: -60.437 bonds (distance) P-C4' energy: -52.106 flat angles C4'-P-C4' energy: -71.014 flat angles P-C4'-P energy: -46.589 tors. eta vs tors. theta energy: -90.335 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: 6, replica: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -796.669256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.669256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.669256 (E_RNA) where: Base-Base interactions energy: -527.634 where: short stacking energy: -243.235 Base-Backbone interact. energy: -0.958 local terms energy: -268.076421 where: bonds (distance) C4'-P energy: -41.886 bonds (distance) P-C4' energy: -65.443 flat angles C4'-P-C4' energy: -59.810 flat angles P-C4'-P energy: -31.711 tors. eta vs tors. theta energy: -69.226 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: 7, replica: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -661.277125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.277125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.277125 (E_RNA) where: Base-Base interactions energy: -432.521 where: short stacking energy: -195.452 Base-Backbone interact. energy: -1.237 local terms energy: -227.518844 where: bonds (distance) C4'-P energy: -42.860 bonds (distance) P-C4' energy: -50.925 flat angles C4'-P-C4' energy: -65.823 flat angles P-C4'-P energy: -27.682 tors. eta vs tors. theta energy: -40.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -617.046932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.046932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.046932 (E_RNA) where: Base-Base interactions energy: -377.224 where: short stacking energy: -175.335 Base-Backbone interact. energy: 0.427 local terms energy: -240.249917 where: bonds (distance) C4'-P energy: -49.249 bonds (distance) P-C4' energy: -63.681 flat angles C4'-P-C4' energy: -59.327 flat angles P-C4'-P energy: -33.921 tors. eta vs tors. theta energy: -34.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -405.296930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.296930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.296930 (E_RNA) where: Base-Base interactions energy: -223.177 where: short stacking energy: -126.604 Base-Backbone interact. energy: 0.963 local terms energy: -183.082545 where: bonds (distance) C4'-P energy: -52.919 bonds (distance) P-C4' energy: -35.806 flat angles C4'-P-C4' energy: -52.586 flat angles P-C4'-P energy: -34.565 tors. eta vs tors. theta energy: -7.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -287.045897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.045897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.045897 (E_RNA) where: Base-Base interactions energy: -99.423 where: short stacking energy: -63.607 Base-Backbone interact. energy: -0.980 local terms energy: -186.643643 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -59.580 flat angles C4'-P-C4' energy: -41.044 flat angles P-C4'-P energy: -24.679 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: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1061.832064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.832064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.832064 (E_RNA) where: Base-Base interactions energy: -721.304 where: short stacking energy: -320.436 Base-Backbone interact. energy: -1.765 local terms energy: -338.763848 where: bonds (distance) C4'-P energy: -66.441 bonds (distance) P-C4' energy: -62.721 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -54.296 tors. eta vs tors. theta energy: -86.091 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: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1025.290194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.290194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.290194 (E_RNA) where: Base-Base interactions energy: -702.929 where: short stacking energy: -290.618 Base-Backbone interact. energy: -1.002 local terms energy: -321.359160 where: bonds (distance) C4'-P energy: -63.200 bonds (distance) P-C4' energy: -58.866 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -80.825 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: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -955.164152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.164152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.164152 (E_RNA) where: Base-Base interactions energy: -667.891 where: short stacking energy: -288.058 Base-Backbone interact. energy: 3.405 local terms energy: -290.678204 where: bonds (distance) C4'-P energy: -47.711 bonds (distance) P-C4' energy: -62.672 flat angles C4'-P-C4' energy: -64.064 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -73.606 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: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -967.770681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.770681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.770681 (E_RNA) where: Base-Base interactions energy: -657.903 where: short stacking energy: -298.319 Base-Backbone interact. energy: -0.574 local terms energy: -309.293723 where: bonds (distance) C4'-P energy: -54.025 bonds (distance) P-C4' energy: -55.282 flat angles C4'-P-C4' energy: -65.719 flat angles P-C4'-P energy: -48.125 tors. eta vs tors. theta energy: -86.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -902.411497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.411497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.411497 (E_RNA) where: Base-Base interactions energy: -608.787 where: short stacking energy: -271.383 Base-Backbone interact. energy: -1.162 local terms energy: -292.463279 where: bonds (distance) C4'-P energy: -49.304 bonds (distance) P-C4' energy: -58.982 flat angles C4'-P-C4' energy: -74.591 flat angles P-C4'-P energy: -34.719 tors. eta vs tors. theta energy: -74.868 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: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -803.384538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.384538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.384538 (E_RNA) where: Base-Base interactions energy: -514.363 where: short stacking energy: -245.929 Base-Backbone interact. energy: -0.943 local terms energy: -288.077998 where: bonds (distance) C4'-P energy: -59.481 bonds (distance) P-C4' energy: -58.442 flat angles C4'-P-C4' energy: -58.367 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -68.884 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: 371 Temperature: 1.200000 Total energy: -643.178288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.178288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.178288 (E_RNA) where: Base-Base interactions energy: -391.616 where: short stacking energy: -198.314 Base-Backbone interact. energy: 0.453 local terms energy: -252.015591 where: bonds (distance) C4'-P energy: -52.397 bonds (distance) P-C4' energy: -57.396 flat angles C4'-P-C4' energy: -55.399 flat angles P-C4'-P energy: -44.482 tors. eta vs tors. theta energy: -42.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -619.291493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.291493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.291493 (E_RNA) where: Base-Base interactions energy: -400.695 where: short stacking energy: -197.273 Base-Backbone interact. energy: -2.217 local terms energy: -216.379271 where: bonds (distance) C4'-P energy: -41.752 bonds (distance) P-C4' energy: -37.028 flat angles C4'-P-C4' energy: -53.507 flat angles P-C4'-P energy: -24.629 tors. eta vs tors. theta energy: -59.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -375.737817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.737817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.737817 (E_RNA) where: Base-Base interactions energy: -179.387 where: short stacking energy: -97.563 Base-Backbone interact. energy: -0.285 local terms energy: -196.065430 where: bonds (distance) C4'-P energy: -51.871 bonds (distance) P-C4' energy: -55.097 flat angles C4'-P-C4' energy: -53.373 flat angles P-C4'-P energy: -24.468 tors. eta vs tors. theta energy: -11.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -255.650805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.650805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.650805 (E_RNA) where: Base-Base interactions energy: -84.409 where: short stacking energy: -70.837 Base-Backbone interact. energy: -3.573 local terms energy: -167.669568 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -52.227 flat angles C4'-P-C4' energy: -40.584 flat angles P-C4'-P energy: -25.770 tors. eta vs tors. theta energy: 8.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1063.181262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.181262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.181262 (E_RNA) where: Base-Base interactions energy: -737.219 where: short stacking energy: -322.697 Base-Backbone interact. energy: -1.765 local terms energy: -324.197699 where: bonds (distance) C4'-P energy: -57.935 bonds (distance) P-C4' energy: -59.813 flat angles C4'-P-C4' energy: -73.682 flat angles P-C4'-P energy: -45.349 tors. eta vs tors. theta energy: -87.418 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: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1013.182717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.182717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.182717 (E_RNA) where: Base-Base interactions energy: -683.957 where: short stacking energy: -291.500 Base-Backbone interact. energy: -1.345 local terms energy: -327.881100 where: bonds (distance) C4'-P energy: -66.299 bonds (distance) P-C4' energy: -50.218 flat angles C4'-P-C4' energy: -73.619 flat angles P-C4'-P energy: -45.328 tors. eta vs tors. theta energy: -92.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -965.273221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.273221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.273221 (E_RNA) where: Base-Base interactions energy: -645.679 where: short stacking energy: -289.171 Base-Backbone interact. energy: 1.502 local terms energy: -321.095759 where: bonds (distance) C4'-P energy: -62.941 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -62.317 flat angles P-C4'-P energy: -49.925 tors. eta vs tors. theta energy: -81.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -917.751013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.751013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.751013 (E_RNA) where: Base-Base interactions energy: -607.389 where: short stacking energy: -272.740 Base-Backbone interact. energy: -2.190 local terms energy: -308.172309 where: bonds (distance) C4'-P energy: -57.738 bonds (distance) P-C4' energy: -64.732 flat angles C4'-P-C4' energy: -66.339 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -76.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -907.716865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.716865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.716865 (E_RNA) where: Base-Base interactions energy: -612.948 where: short stacking energy: -268.774 Base-Backbone interact. energy: 1.054 local terms energy: -295.822864 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -47.498 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -42.115 tors. eta vs tors. theta energy: -78.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -783.217431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.217431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.217431 (E_RNA) where: Base-Base interactions energy: -512.758 where: short stacking energy: -222.740 Base-Backbone interact. energy: -1.821 local terms energy: -268.638280 where: bonds (distance) C4'-P energy: -51.316 bonds (distance) P-C4' energy: -59.597 flat angles C4'-P-C4' energy: -62.702 flat angles P-C4'-P energy: -29.445 tors. eta vs tors. theta energy: -65.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -654.358795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.358795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.358795 (E_RNA) where: Base-Base interactions energy: -424.996 where: short stacking energy: -182.635 Base-Backbone interact. energy: 1.087 local terms energy: -230.450729 where: bonds (distance) C4'-P energy: -52.255 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -49.203 flat angles P-C4'-P energy: -30.382 tors. eta vs tors. theta energy: -43.703 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: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -652.227112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.227112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.227112 (E_RNA) where: Base-Base interactions energy: -407.056 where: short stacking energy: -201.897 Base-Backbone interact. energy: -1.090 local terms energy: -244.080846 where: bonds (distance) C4'-P energy: -45.276 bonds (distance) P-C4' energy: -55.335 flat angles C4'-P-C4' energy: -57.572 flat angles P-C4'-P energy: -32.468 tors. eta vs tors. theta energy: -53.429 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: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -349.847809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.847809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.847809 (E_RNA) where: Base-Base interactions energy: -150.629 where: short stacking energy: -83.220 Base-Backbone interact. energy: 1.389 local terms energy: -200.607098 where: bonds (distance) C4'-P energy: -59.925 bonds (distance) P-C4' energy: -60.285 flat angles C4'-P-C4' energy: -49.886 flat angles P-C4'-P energy: -37.906 tors. eta vs tors. theta energy: 7.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -264.908795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.908795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.908795 (E_RNA) where: Base-Base interactions energy: -91.489 where: short stacking energy: -76.930 Base-Backbone interact. energy: 6.048 local terms energy: -179.467139 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -52.990 flat angles C4'-P-C4' energy: -49.890 flat angles P-C4'-P energy: -33.983 tors. eta vs tors. theta energy: 17.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1068.602381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.602381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.602381 (E_RNA) where: Base-Base interactions energy: -732.914 where: short stacking energy: -320.487 Base-Backbone interact. energy: -0.632 local terms energy: -335.056401 where: bonds (distance) C4'-P energy: -60.764 bonds (distance) P-C4' energy: -66.218 flat angles C4'-P-C4' energy: -71.307 flat angles P-C4'-P energy: -47.973 tors. eta vs tors. theta energy: -88.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1008.926541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.926541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.926541 (E_RNA) where: Base-Base interactions energy: -683.863 where: short stacking energy: -299.496 Base-Backbone interact. energy: -0.635 local terms energy: -324.428445 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -62.077 flat angles C4'-P-C4' energy: -67.439 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: -82.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -987.614414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.614414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.614414 (E_RNA) where: Base-Base interactions energy: -667.797 where: short stacking energy: -302.988 Base-Backbone interact. energy: -0.310 local terms energy: -319.507150 where: bonds (distance) C4'-P energy: -67.500 bonds (distance) P-C4' energy: -60.194 flat angles C4'-P-C4' energy: -62.188 flat angles P-C4'-P energy: -44.327 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: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -900.334591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.334591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.334591 (E_RNA) where: Base-Base interactions energy: -612.678 where: short stacking energy: -281.803 Base-Backbone interact. energy: -0.839 local terms energy: -286.817169 where: bonds (distance) C4'-P energy: -47.051 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -54.849 flat angles P-C4'-P energy: -39.240 tors. eta vs tors. theta energy: -81.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -911.123488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.123488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.123488 (E_RNA) where: Base-Base interactions energy: -617.166 where: short stacking energy: -276.333 Base-Backbone interact. energy: -1.608 local terms energy: -292.350160 where: bonds (distance) C4'-P energy: -39.980 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -67.502 flat angles P-C4'-P energy: -45.037 tors. eta vs tors. theta energy: -79.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -807.782292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.782292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.782292 (E_RNA) where: Base-Base interactions energy: -513.754 where: short stacking energy: -238.781 Base-Backbone interact. energy: -1.118 local terms energy: -292.910573 where: bonds (distance) C4'-P energy: -48.768 bonds (distance) P-C4' energy: -60.566 flat angles C4'-P-C4' energy: -66.791 flat angles P-C4'-P energy: -44.300 tors. eta vs tors. theta energy: -72.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -687.994806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.994806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.994806 (E_RNA) where: Base-Base interactions energy: -450.179 where: short stacking energy: -188.069 Base-Backbone interact. energy: -1.174 local terms energy: -236.641200 where: bonds (distance) C4'-P energy: -49.812 bonds (distance) P-C4' energy: -62.356 flat angles C4'-P-C4' energy: -56.415 flat angles P-C4'-P energy: -35.997 tors. eta vs tors. theta energy: -32.061 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: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -632.590042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.590042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.590042 (E_RNA) where: Base-Base interactions energy: -397.292 where: short stacking energy: -177.468 Base-Backbone interact. energy: -0.058 local terms energy: -235.239760 where: bonds (distance) C4'-P energy: -50.554 bonds (distance) P-C4' energy: -60.095 flat angles C4'-P-C4' energy: -56.886 flat angles P-C4'-P energy: -37.418 tors. eta vs tors. theta energy: -30.286 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: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -367.479035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.479035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.479035 (E_RNA) where: Base-Base interactions energy: -174.306 where: short stacking energy: -105.790 Base-Backbone interact. energy: -1.510 local terms energy: -191.663162 where: bonds (distance) C4'-P energy: -42.154 bonds (distance) P-C4' energy: -59.606 flat angles C4'-P-C4' energy: -50.549 flat angles P-C4'-P energy: -28.722 tors. eta vs tors. theta energy: -10.633 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: 8 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -285.857859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.857859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.857859 (E_RNA) where: Base-Base interactions energy: -109.487 where: short stacking energy: -82.450 Base-Backbone interact. energy: 2.531 local terms energy: -178.901873 where: bonds (distance) C4'-P energy: -48.658 bonds (distance) P-C4' energy: -61.821 flat angles C4'-P-C4' energy: -52.671 flat angles P-C4'-P energy: -29.016 tors. eta vs tors. theta energy: 13.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1069.226740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.226740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.226740 (E_RNA) where: Base-Base interactions energy: -731.976 where: short stacking energy: -330.232 Base-Backbone interact. energy: -1.175 local terms energy: -336.075884 where: bonds (distance) C4'-P energy: -67.689 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -67.310 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -98.581 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: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -997.389067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.389067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.389067 (E_RNA) where: Base-Base interactions energy: -669.441 where: short stacking energy: -299.958 Base-Backbone interact. energy: -1.678 local terms energy: -326.269904 where: bonds (distance) C4'-P energy: -59.704 bonds (distance) P-C4' energy: -58.683 flat angles C4'-P-C4' energy: -72.746 flat angles P-C4'-P energy: -47.714 tors. eta vs tors. theta energy: -87.424 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: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1000.786924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.786924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.786924 (E_RNA) where: Base-Base interactions energy: -679.850 where: short stacking energy: -295.041 Base-Backbone interact. energy: 0.149 local terms energy: -321.085798 where: bonds (distance) C4'-P energy: -62.324 bonds (distance) P-C4' energy: -54.982 flat angles C4'-P-C4' energy: -72.070 flat angles P-C4'-P energy: -47.260 tors. eta vs tors. theta energy: -84.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -897.864238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.864238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.864238 (E_RNA) where: Base-Base interactions energy: -596.200 where: short stacking energy: -269.283 Base-Backbone interact. energy: -1.840 local terms energy: -299.823979 where: bonds (distance) C4'-P energy: -48.483 bonds (distance) P-C4' energy: -60.948 flat angles C4'-P-C4' energy: -65.398 flat angles P-C4'-P energy: -50.481 tors. eta vs tors. theta energy: -74.513 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: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -897.666179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.666179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.666179 (E_RNA) where: Base-Base interactions energy: -594.635 where: short stacking energy: -246.659 Base-Backbone interact. energy: 0.251 local terms energy: -303.281627 where: bonds (distance) C4'-P energy: -54.284 bonds (distance) P-C4' energy: -60.080 flat angles C4'-P-C4' energy: -71.143 flat angles P-C4'-P energy: -44.557 tors. eta vs tors. theta energy: -73.216 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: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -808.985256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.985256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.985256 (E_RNA) where: Base-Base interactions energy: -529.417 where: short stacking energy: -229.376 Base-Backbone interact. energy: -0.738 local terms energy: -278.830662 where: bonds (distance) C4'-P energy: -61.100 bonds (distance) P-C4' energy: -54.473 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -36.442 tors. eta vs tors. theta energy: -61.179 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: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -657.920563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.920563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.920563 (E_RNA) where: Base-Base interactions energy: -422.697 where: short stacking energy: -175.400 Base-Backbone interact. energy: -1.238 local terms energy: -233.985471 where: bonds (distance) C4'-P energy: -55.707 bonds (distance) P-C4' energy: -50.627 flat angles C4'-P-C4' energy: -56.334 flat angles P-C4'-P energy: -32.369 tors. eta vs tors. theta energy: -38.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -601.381584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.381584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.381584 (E_RNA) where: Base-Base interactions energy: -373.910 where: short stacking energy: -168.231 Base-Backbone interact. energy: 0.012 local terms energy: -227.483923 where: bonds (distance) C4'-P energy: -51.294 bonds (distance) P-C4' energy: -60.667 flat angles C4'-P-C4' energy: -45.657 flat angles P-C4'-P energy: -40.762 tors. eta vs tors. theta energy: -29.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -360.856731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.856731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.856731 (E_RNA) where: Base-Base interactions energy: -150.193 where: short stacking energy: -94.599 Base-Backbone interact. energy: -0.073 local terms energy: -210.591388 where: bonds (distance) C4'-P energy: -51.823 bonds (distance) P-C4' energy: -59.006 flat angles C4'-P-C4' energy: -52.078 flat angles P-C4'-P energy: -39.456 tors. eta vs tors. theta energy: -8.228 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: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -347.424400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.424400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.424400 (E_RNA) where: Base-Base interactions energy: -165.856 where: short stacking energy: -111.197 Base-Backbone interact. energy: 0.079 local terms energy: -181.647735 where: bonds (distance) C4'-P energy: -44.773 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -48.579 flat angles P-C4'-P energy: -19.971 tors. eta vs tors. theta energy: -8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1087.140411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.140411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.140411 (E_RNA) where: Base-Base interactions energy: -751.393 where: short stacking energy: -334.572 Base-Backbone interact. energy: -0.729 local terms energy: -335.018501 where: bonds (distance) C4'-P energy: -66.138 bonds (distance) P-C4' energy: -58.582 flat angles C4'-P-C4' energy: -70.421 flat angles P-C4'-P energy: -43.634 tors. eta vs tors. theta energy: -96.244 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: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1015.788298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.788298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.788298 (E_RNA) where: Base-Base interactions energy: -687.032 where: short stacking energy: -315.589 Base-Backbone interact. energy: -1.089 local terms energy: -327.667365 where: bonds (distance) C4'-P energy: -52.106 bonds (distance) P-C4' energy: -68.358 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -41.565 tors. eta vs tors. theta energy: -95.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -978.725256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.725256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.725256 (E_RNA) where: Base-Base interactions energy: -675.339 where: short stacking energy: -297.921 Base-Backbone interact. energy: -1.615 local terms energy: -301.771235 where: bonds (distance) C4'-P energy: -47.885 bonds (distance) P-C4' energy: -66.740 flat angles C4'-P-C4' energy: -65.727 flat angles P-C4'-P energy: -42.018 tors. eta vs tors. theta energy: -79.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -920.772067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.772067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.772067 (E_RNA) where: Base-Base interactions energy: -628.849 where: short stacking energy: -281.409 Base-Backbone interact. energy: -2.254 local terms energy: -289.669140 where: bonds (distance) C4'-P energy: -58.481 bonds (distance) P-C4' energy: -52.122 flat angles C4'-P-C4' energy: -61.892 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -69.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -907.739709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.739709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.739709 (E_RNA) where: Base-Base interactions energy: -610.114 where: short stacking energy: -261.290 Base-Backbone interact. energy: -1.981 local terms energy: -295.644750 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -61.004 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -35.448 tors. eta vs tors. theta energy: -73.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -814.572937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.572937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.572937 (E_RNA) where: Base-Base interactions energy: -535.274 where: short stacking energy: -247.384 Base-Backbone interact. energy: -0.513 local terms energy: -278.785893 where: bonds (distance) C4'-P energy: -59.880 bonds (distance) P-C4' energy: -42.807 flat angles C4'-P-C4' energy: -64.510 flat angles P-C4'-P energy: -40.377 tors. eta vs tors. theta energy: -71.212 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: 375 Temperature: 1.200000 Total energy: -642.312475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.312475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.312475 (E_RNA) where: Base-Base interactions energy: -390.730 where: short stacking energy: -183.486 Base-Backbone interact. energy: -0.228 local terms energy: -251.354729 where: bonds (distance) C4'-P energy: -46.308 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -59.401 flat angles P-C4'-P energy: -39.866 tors. eta vs tors. theta energy: -47.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -544.339636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.339636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.339636 (E_RNA) where: Base-Base interactions energy: -299.508 where: short stacking energy: -163.393 Base-Backbone interact. energy: -2.156 local terms energy: -242.675732 where: bonds (distance) C4'-P energy: -51.872 bonds (distance) P-C4' energy: -69.028 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -34.129 tors. eta vs tors. theta energy: -30.819 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: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -411.664768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.664768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.664768 (E_RNA) where: Base-Base interactions energy: -209.764 where: short stacking energy: -118.428 Base-Backbone interact. energy: -2.078 local terms energy: -199.822606 where: bonds (distance) C4'-P energy: -60.540 bonds (distance) P-C4' energy: -48.958 flat angles C4'-P-C4' energy: -58.648 flat angles P-C4'-P energy: -27.098 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -289.205460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.205460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.205460 (E_RNA) where: Base-Base interactions energy: -115.687 where: short stacking energy: -83.544 Base-Backbone interact. energy: -2.310 local terms energy: -171.207589 where: bonds (distance) C4'-P energy: -38.079 bonds (distance) P-C4' energy: -52.690 flat angles C4'-P-C4' energy: -48.644 flat angles P-C4'-P energy: -37.237 tors. eta vs tors. theta energy: 5.442 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: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1059.934770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.934770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.934770 (E_RNA) where: Base-Base interactions energy: -721.810 where: short stacking energy: -325.964 Base-Backbone interact. energy: -1.016 local terms energy: -337.109593 where: bonds (distance) C4'-P energy: -64.020 bonds (distance) P-C4' energy: -74.218 flat angles C4'-P-C4' energy: -69.016 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -89.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1017.716179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.716179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.716179 (E_RNA) where: Base-Base interactions energy: -662.258 where: short stacking energy: -304.688 Base-Backbone interact. energy: -1.153 local terms energy: -354.304991 where: bonds (distance) C4'-P energy: -64.437 bonds (distance) P-C4' energy: -64.762 flat angles C4'-P-C4' energy: -78.212 flat angles P-C4'-P energy: -50.812 tors. eta vs tors. theta energy: -96.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -981.484733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.484733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.484733 (E_RNA) where: Base-Base interactions energy: -644.879 where: short stacking energy: -294.453 Base-Backbone interact. energy: -1.016 local terms energy: -335.590304 where: bonds (distance) C4'-P energy: -63.413 bonds (distance) P-C4' energy: -65.590 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -51.642 tors. eta vs tors. theta energy: -85.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -921.647351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.647351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.647351 (E_RNA) where: Base-Base interactions energy: -626.942 where: short stacking energy: -278.480 Base-Backbone interact. energy: -0.505 local terms energy: -294.199939 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -46.807 flat angles C4'-P-C4' energy: -66.909 flat angles P-C4'-P energy: -45.264 tors. eta vs tors. theta energy: -74.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -896.173512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.173512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.173512 (E_RNA) where: Base-Base interactions energy: -609.430 where: short stacking energy: -262.513 Base-Backbone interact. energy: 0.590 local terms energy: -287.334202 where: bonds (distance) C4'-P energy: -50.784 bonds (distance) P-C4' energy: -55.550 flat angles C4'-P-C4' energy: -57.518 flat angles P-C4'-P energy: -46.168 tors. eta vs tors. theta energy: -77.314 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: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -812.092530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.092530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.092530 (E_RNA) where: Base-Base interactions energy: -540.186 where: short stacking energy: -266.054 Base-Backbone interact. energy: -0.634 local terms energy: -271.272592 where: bonds (distance) C4'-P energy: -45.955 bonds (distance) P-C4' energy: -55.906 flat angles C4'-P-C4' energy: -61.213 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: -75.414 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: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -644.279853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.279853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.279853 (E_RNA) where: Base-Base interactions energy: -399.515 where: short stacking energy: -180.656 Base-Backbone interact. energy: -0.761 local terms energy: -244.004688 where: bonds (distance) C4'-P energy: -49.828 bonds (distance) P-C4' energy: -65.907 flat angles C4'-P-C4' energy: -58.761 flat angles P-C4'-P energy: -28.277 tors. eta vs tors. theta energy: -41.231 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: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -499.161737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.161737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.161737 (E_RNA) where: Base-Base interactions energy: -281.190 where: short stacking energy: -145.731 Base-Backbone interact. energy: -1.576 local terms energy: -216.395819 where: bonds (distance) C4'-P energy: -58.112 bonds (distance) P-C4' energy: -50.640 flat angles C4'-P-C4' energy: -54.327 flat angles P-C4'-P energy: -29.521 tors. eta vs tors. theta energy: -23.795 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: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -400.366575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.366575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.366575 (E_RNA) where: Base-Base interactions energy: -224.253 where: short stacking energy: -110.758 Base-Backbone interact. energy: -1.642 local terms energy: -174.471292 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -46.467 flat angles C4'-P-C4' energy: -53.492 flat angles P-C4'-P energy: -24.940 tors. eta vs tors. theta energy: 3.180 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: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -275.643266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.643266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.643266 (E_RNA) where: Base-Base interactions energy: -86.098 where: short stacking energy: -52.390 Base-Backbone interact. energy: -0.855 local terms energy: -188.690345 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -52.545 flat angles C4'-P-C4' energy: -54.482 flat angles P-C4'-P energy: -28.912 tors. eta vs tors. theta energy: 4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1071.615472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.615472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.615472 (E_RNA) where: Base-Base interactions energy: -749.952 where: short stacking energy: -337.464 Base-Backbone interact. energy: -2.035 local terms energy: -319.629142 where: bonds (distance) C4'-P energy: -60.939 bonds (distance) P-C4' energy: -56.028 flat angles C4'-P-C4' energy: -74.841 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: -89.708 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: 2, replica: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1027.805611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.805611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.805611 (E_RNA) where: Base-Base interactions energy: -688.504 where: short stacking energy: -304.596 Base-Backbone interact. energy: -1.201 local terms energy: -338.100512 where: bonds (distance) C4'-P energy: -54.514 bonds (distance) P-C4' energy: -65.873 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -44.857 tors. eta vs tors. theta energy: -99.075 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: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -952.913822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.913822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.913822 (E_RNA) where: Base-Base interactions energy: -627.287 where: short stacking energy: -293.524 Base-Backbone interact. energy: 0.132 local terms energy: -325.759128 where: bonds (distance) C4'-P energy: -53.344 bonds (distance) P-C4' energy: -60.960 flat angles C4'-P-C4' energy: -71.398 flat angles P-C4'-P energy: -52.701 tors. eta vs tors. theta energy: -87.356 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: 377 Temperature: 1.050000 Total energy: -941.400664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.400664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.400664 (E_RNA) where: Base-Base interactions energy: -626.266 where: short stacking energy: -287.753 Base-Backbone interact. energy: -2.984 local terms energy: -312.150518 where: bonds (distance) C4'-P energy: -59.065 bonds (distance) P-C4' energy: -55.474 flat angles C4'-P-C4' energy: -75.300 flat angles P-C4'-P energy: -46.108 tors. eta vs tors. theta energy: -76.203 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: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -929.227579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.227579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.227579 (E_RNA) where: Base-Base interactions energy: -615.009 where: short stacking energy: -283.819 Base-Backbone interact. energy: -2.370 local terms energy: -311.848961 where: bonds (distance) C4'-P energy: -65.653 bonds (distance) P-C4' energy: -61.119 flat angles C4'-P-C4' energy: -58.605 flat angles P-C4'-P energy: -39.162 tors. eta vs tors. theta energy: -87.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -850.899858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.899858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.899858 (E_RNA) where: Base-Base interactions energy: -557.173 where: short stacking energy: -266.857 Base-Backbone interact. energy: -0.762 local terms energy: -292.964991 where: bonds (distance) C4'-P energy: -55.194 bonds (distance) P-C4' energy: -55.316 flat angles C4'-P-C4' energy: -62.378 flat angles P-C4'-P energy: -38.164 tors. eta vs tors. theta energy: -81.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -633.456238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.456238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.456238 (E_RNA) where: Base-Base interactions energy: -393.465 where: short stacking energy: -183.127 Base-Backbone interact. energy: 0.721 local terms energy: -240.712355 where: bonds (distance) C4'-P energy: -51.333 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -62.637 flat angles P-C4'-P energy: -43.345 tors. eta vs tors. theta energy: -20.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -539.088512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.088512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.088512 (E_RNA) where: Base-Base interactions energy: -304.934 where: short stacking energy: -147.575 Base-Backbone interact. energy: -0.601 local terms energy: -233.554043 where: bonds (distance) C4'-P energy: -43.771 bonds (distance) P-C4' energy: -67.878 flat angles C4'-P-C4' energy: -59.823 flat angles P-C4'-P energy: -31.113 tors. eta vs tors. theta energy: -30.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -386.681619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.681619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.681619 (E_RNA) where: Base-Base interactions energy: -195.155 where: short stacking energy: -114.061 Base-Backbone interact. energy: 0.001 local terms energy: -191.528048 where: bonds (distance) C4'-P energy: -44.486 bonds (distance) P-C4' energy: -57.363 flat angles C4'-P-C4' energy: -57.416 flat angles P-C4'-P energy: -23.246 tors. eta vs tors. theta energy: -9.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -286.482306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.482306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.482306 (E_RNA) where: Base-Base interactions energy: -96.093 where: short stacking energy: -85.955 Base-Backbone interact. energy: 0.457 local terms energy: -190.845730 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -54.508 flat angles C4'-P-C4' energy: -44.563 flat angles P-C4'-P energy: -31.605 tors. eta vs tors. theta energy: 0.719 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: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1091.101792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.101792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.101792 (E_RNA) where: Base-Base interactions energy: -750.636 where: short stacking energy: -332.394 Base-Backbone interact. energy: 0.709 local terms energy: -341.174557 where: bonds (distance) C4'-P energy: -70.676 bonds (distance) P-C4' energy: -68.012 flat angles C4'-P-C4' energy: -67.439 flat angles P-C4'-P energy: -41.860 tors. eta vs tors. theta energy: -93.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1035.248880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.248880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.248880 (E_RNA) where: Base-Base interactions energy: -697.189 where: short stacking energy: -319.112 Base-Backbone interact. energy: 5.186 local terms energy: -343.245779 where: bonds (distance) C4'-P energy: -68.535 bonds (distance) P-C4' energy: -68.196 flat angles C4'-P-C4' energy: -64.034 flat angles P-C4'-P energy: -47.895 tors. eta vs tors. theta energy: -94.586 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: 378 Temperature: 1.000000 Total energy: -944.410857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.410857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.410857 (E_RNA) where: Base-Base interactions energy: -622.456 where: short stacking energy: -264.268 Base-Backbone interact. energy: -0.538 local terms energy: -321.415975 where: bonds (distance) C4'-P energy: -61.277 bonds (distance) P-C4' energy: -69.322 flat angles C4'-P-C4' energy: -63.722 flat angles P-C4'-P energy: -51.035 tors. eta vs tors. theta energy: -76.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -916.237160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.237160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.237160 (E_RNA) where: Base-Base interactions energy: -626.176 where: short stacking energy: -262.437 Base-Backbone interact. energy: -0.971 local terms energy: -289.090959 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -67.060 flat angles C4'-P-C4' energy: -59.333 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -67.433 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: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -873.320114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.320114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.320114 (E_RNA) where: Base-Base interactions energy: -557.370 where: short stacking energy: -266.846 Base-Backbone interact. energy: -2.558 local terms energy: -313.392207 where: bonds (distance) C4'-P energy: -68.346 bonds (distance) P-C4' energy: -58.471 flat angles C4'-P-C4' energy: -61.395 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -76.769 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: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -820.372584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.372584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.372584 (E_RNA) where: Base-Base interactions energy: -528.394 where: short stacking energy: -265.903 Base-Backbone interact. energy: -0.751 local terms energy: -291.228049 where: bonds (distance) C4'-P energy: -58.410 bonds (distance) P-C4' energy: -61.614 flat angles C4'-P-C4' energy: -63.307 flat angles P-C4'-P energy: -34.384 tors. eta vs tors. theta energy: -73.513 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: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -629.856298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.856298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.856298 (E_RNA) where: Base-Base interactions energy: -400.464 where: short stacking energy: -186.733 Base-Backbone interact. energy: 1.137 local terms energy: -230.529458 where: bonds (distance) C4'-P energy: -50.983 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -44.911 flat angles P-C4'-P energy: -30.304 tors. eta vs tors. theta energy: -42.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -571.481080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.481080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.481080 (E_RNA) where: Base-Base interactions energy: -350.768 where: short stacking energy: -170.215 Base-Backbone interact. energy: -0.943 local terms energy: -219.770622 where: bonds (distance) C4'-P energy: -49.366 bonds (distance) P-C4' energy: -54.441 flat angles C4'-P-C4' energy: -61.615 flat angles P-C4'-P energy: -25.032 tors. eta vs tors. theta energy: -29.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -419.459664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.459664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.459664 (E_RNA) where: Base-Base interactions energy: -222.672 where: short stacking energy: -118.928 Base-Backbone interact. energy: 0.032 local terms energy: -196.820054 where: bonds (distance) C4'-P energy: -46.359 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -53.610 flat angles P-C4'-P energy: -26.206 tors. eta vs tors. theta energy: -2.542 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: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -303.556197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.556197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.556197 (E_RNA) where: Base-Base interactions energy: -131.751 where: short stacking energy: -89.831 Base-Backbone interact. energy: -0.648 local terms energy: -171.156401 where: bonds (distance) C4'-P energy: -49.813 bonds (distance) P-C4' energy: -46.805 flat angles C4'-P-C4' energy: -52.125 flat angles P-C4'-P energy: -27.465 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: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1071.501248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.501248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.501248 (E_RNA) where: Base-Base interactions energy: -737.357 where: short stacking energy: -324.662 Base-Backbone interact. energy: -1.929 local terms energy: -332.214821 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -59.360 flat angles C4'-P-C4' energy: -76.490 flat angles P-C4'-P energy: -48.526 tors. eta vs tors. theta energy: -91.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1055.536447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.536447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.536447 (E_RNA) where: Base-Base interactions energy: -696.210 where: short stacking energy: -332.610 Base-Backbone interact. energy: -1.409 local terms energy: -357.917035 where: bonds (distance) C4'-P energy: -67.527 bonds (distance) P-C4' energy: -67.496 flat angles C4'-P-C4' energy: -71.399 flat angles P-C4'-P energy: -43.818 tors. eta vs tors. theta energy: -107.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -972.646528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.646528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.646528 (E_RNA) where: Base-Base interactions energy: -668.357 where: short stacking energy: -296.159 Base-Backbone interact. energy: 0.944 local terms energy: -305.234264 where: bonds (distance) C4'-P energy: -64.624 bonds (distance) P-C4' energy: -56.722 flat angles C4'-P-C4' energy: -56.724 flat angles P-C4'-P energy: -44.998 tors. eta vs tors. theta energy: -82.166 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: 4, replica: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -908.696912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.696912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.696912 (E_RNA) where: Base-Base interactions energy: -614.629 where: short stacking energy: -269.837 Base-Backbone interact. energy: -0.867 local terms energy: -293.200573 where: bonds (distance) C4'-P energy: -58.041 bonds (distance) P-C4' energy: -60.307 flat angles C4'-P-C4' energy: -59.320 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: -71.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -864.290055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.290055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.290055 (E_RNA) where: Base-Base interactions energy: -558.421 where: short stacking energy: -243.841 Base-Backbone interact. energy: -1.680 local terms energy: -304.189761 where: bonds (distance) C4'-P energy: -63.769 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -68.270 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -68.410 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: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -850.725020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.725020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.725020 (E_RNA) where: Base-Base interactions energy: -562.732 where: short stacking energy: -268.380 Base-Backbone interact. energy: -1.366 local terms energy: -286.627299 where: bonds (distance) C4'-P energy: -45.796 bonds (distance) P-C4' energy: -62.487 flat angles C4'-P-C4' energy: -62.179 flat angles P-C4'-P energy: -24.611 tors. eta vs tors. theta energy: -91.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -661.261426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.261426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.261426 (E_RNA) where: Base-Base interactions energy: -422.555 where: short stacking energy: -178.115 Base-Backbone interact. energy: -0.321 local terms energy: -238.385552 where: bonds (distance) C4'-P energy: -55.979 bonds (distance) P-C4' energy: -56.321 flat angles C4'-P-C4' energy: -43.825 flat angles P-C4'-P energy: -43.206 tors. eta vs tors. theta energy: -39.055 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: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -576.289792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.289792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.289792 (E_RNA) where: Base-Base interactions energy: -349.171 where: short stacking energy: -156.243 Base-Backbone interact. energy: -0.594 local terms energy: -226.524134 where: bonds (distance) C4'-P energy: -55.081 bonds (distance) P-C4' energy: -60.623 flat angles C4'-P-C4' energy: -53.706 flat angles P-C4'-P energy: -33.464 tors. eta vs tors. theta energy: -23.651 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: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -404.580999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.580999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.580999 (E_RNA) where: Base-Base interactions energy: -216.659 where: short stacking energy: -114.266 Base-Backbone interact. energy: -1.109 local terms energy: -186.812313 where: bonds (distance) C4'-P energy: -50.629 bonds (distance) P-C4' energy: -52.311 flat angles C4'-P-C4' energy: -55.660 flat angles P-C4'-P energy: -25.096 tors. eta vs tors. theta energy: -3.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -315.412124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.412124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.412124 (E_RNA) where: Base-Base interactions energy: -133.399 where: short stacking energy: -92.328 Base-Backbone interact. energy: -0.383 local terms energy: -181.630011 where: bonds (distance) C4'-P energy: -47.409 bonds (distance) P-C4' energy: -53.270 flat angles C4'-P-C4' energy: -60.927 flat angles P-C4'-P energy: -22.882 tors. eta vs tors. theta energy: 2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1089.488451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.488451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.488451 (E_RNA) where: Base-Base interactions energy: -760.394 where: short stacking energy: -327.662 Base-Backbone interact. energy: 1.687 local terms energy: -330.781313 where: bonds (distance) C4'-P energy: -59.897 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -71.300 flat angles P-C4'-P energy: -45.943 tors. eta vs tors. theta energy: -88.760 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: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1030.819707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.819707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.819707 (E_RNA) where: Base-Base interactions energy: -702.300 where: short stacking energy: -294.479 Base-Backbone interact. energy: -0.545 local terms energy: -327.973943 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -72.101 flat angles C4'-P-C4' energy: -62.493 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: -88.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -959.531788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.531788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.531788 (E_RNA) where: Base-Base interactions energy: -650.425 where: short stacking energy: -291.039 Base-Backbone interact. energy: 0.658 local terms energy: -309.765103 where: bonds (distance) C4'-P energy: -46.732 bonds (distance) P-C4' energy: -63.430 flat angles C4'-P-C4' energy: -72.476 flat angles P-C4'-P energy: -42.023 tors. eta vs tors. theta energy: -85.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -878.690150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.690150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.690150 (E_RNA) where: Base-Base interactions energy: -604.310 where: short stacking energy: -255.324 Base-Backbone interact. energy: -0.932 local terms energy: -273.448495 where: bonds (distance) C4'-P energy: -56.077 bonds (distance) P-C4' energy: -51.786 flat angles C4'-P-C4' energy: -63.009 flat angles P-C4'-P energy: -34.654 tors. eta vs tors. theta energy: -67.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -865.032581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.032581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.032581 (E_RNA) where: Base-Base interactions energy: -577.650 where: short stacking energy: -243.923 Base-Backbone interact. energy: -1.217 local terms energy: -286.165556 where: bonds (distance) C4'-P energy: -58.844 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -62.269 flat angles P-C4'-P energy: -27.340 tors. eta vs tors. theta energy: -76.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -843.353098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.353098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.353098 (E_RNA) where: Base-Base interactions energy: -576.264 where: short stacking energy: -247.903 Base-Backbone interact. energy: 0.636 local terms energy: -267.725347 where: bonds (distance) C4'-P energy: -49.554 bonds (distance) P-C4' energy: -59.196 flat angles C4'-P-C4' energy: -60.194 flat angles P-C4'-P energy: -36.751 tors. eta vs tors. theta energy: -62.031 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: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -698.260319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.260319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.260319 (E_RNA) where: Base-Base interactions energy: -477.246 where: short stacking energy: -195.933 Base-Backbone interact. energy: -3.767 local terms energy: -217.247363 where: bonds (distance) C4'-P energy: -47.006 bonds (distance) P-C4' energy: -56.710 flat angles C4'-P-C4' energy: -50.324 flat angles P-C4'-P energy: -23.816 tors. eta vs tors. theta energy: -39.392 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: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -523.659759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.659759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.659759 (E_RNA) where: Base-Base interactions energy: -296.418 where: short stacking energy: -151.008 Base-Backbone interact. energy: 0.031 local terms energy: -227.272453 where: bonds (distance) C4'-P energy: -57.977 bonds (distance) P-C4' energy: -61.245 flat angles C4'-P-C4' energy: -45.553 flat angles P-C4'-P energy: -37.098 tors. eta vs tors. theta energy: -25.400 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: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -444.748002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.748002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.748002 (E_RNA) where: Base-Base interactions energy: -254.785 where: short stacking energy: -116.333 Base-Backbone interact. energy: -0.631 local terms energy: -189.332499 where: bonds (distance) C4'-P energy: -44.481 bonds (distance) P-C4' energy: -60.860 flat angles C4'-P-C4' energy: -47.419 flat angles P-C4'-P energy: -32.290 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -273.033684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.033684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.033684 (E_RNA) where: Base-Base interactions energy: -95.356 where: short stacking energy: -70.657 Base-Backbone interact. energy: 0.095 local terms energy: -177.772201 where: bonds (distance) C4'-P energy: -55.586 bonds (distance) P-C4' energy: -60.832 flat angles C4'-P-C4' energy: -40.382 flat angles P-C4'-P energy: -29.036 tors. eta vs tors. theta energy: 8.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1082.909798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.909798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.909798 (E_RNA) where: Base-Base interactions energy: -751.077 where: short stacking energy: -314.627 Base-Backbone interact. energy: 0.444 local terms energy: -332.275995 where: bonds (distance) C4'-P energy: -56.922 bonds (distance) P-C4' energy: -67.451 flat angles C4'-P-C4' energy: -69.179 flat angles P-C4'-P energy: -46.339 tors. eta vs tors. theta energy: -92.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1036.318417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.318417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.318417 (E_RNA) where: Base-Base interactions energy: -709.388 where: short stacking energy: -300.037 Base-Backbone interact. energy: -1.343 local terms energy: -325.587471 where: bonds (distance) C4'-P energy: -73.591 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -65.857 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -85.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -970.476515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.476515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.476515 (E_RNA) where: Base-Base interactions energy: -643.630 where: short stacking energy: -296.124 Base-Backbone interact. energy: 4.386 local terms energy: -331.232372 where: bonds (distance) C4'-P energy: -57.702 bonds (distance) P-C4' energy: -72.633 flat angles C4'-P-C4' energy: -65.778 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -85.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -873.232443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.232443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.232443 (E_RNA) where: Base-Base interactions energy: -605.482 where: short stacking energy: -256.112 Base-Backbone interact. energy: 1.526 local terms energy: -269.276471 where: bonds (distance) C4'-P energy: -53.322 bonds (distance) P-C4' energy: -57.209 flat angles C4'-P-C4' energy: -64.095 flat angles P-C4'-P energy: -36.720 tors. eta vs tors. theta energy: -57.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -874.480842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.480842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.480842 (E_RNA) where: Base-Base interactions energy: -578.172 where: short stacking energy: -275.673 Base-Backbone interact. energy: -0.228 local terms energy: -296.080832 where: bonds (distance) C4'-P energy: -51.494 bonds (distance) P-C4' energy: -59.600 flat angles C4'-P-C4' energy: -50.830 flat angles P-C4'-P energy: -45.982 tors. eta vs tors. theta energy: -88.175 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: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -843.992207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.992207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.992207 (E_RNA) where: Base-Base interactions energy: -558.706 where: short stacking energy: -272.632 Base-Backbone interact. energy: -0.226 local terms energy: -285.060017 where: bonds (distance) C4'-P energy: -47.560 bonds (distance) P-C4' energy: -57.771 flat angles C4'-P-C4' energy: -68.018 flat angles P-C4'-P energy: -39.430 tors. eta vs tors. theta energy: -72.281 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: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -710.511928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.511928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.511928 (E_RNA) where: Base-Base interactions energy: -459.368 where: short stacking energy: -210.887 Base-Backbone interact. energy: -0.791 local terms energy: -250.352343 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -53.630 flat angles C4'-P-C4' energy: -57.233 flat angles P-C4'-P energy: -36.629 tors. eta vs tors. theta energy: -50.221 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: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -536.270875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.270875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.270875 (E_RNA) where: Base-Base interactions energy: -316.868 where: short stacking energy: -131.056 Base-Backbone interact. energy: 0.682 local terms energy: -220.085354 where: bonds (distance) C4'-P energy: -54.987 bonds (distance) P-C4' energy: -63.013 flat angles C4'-P-C4' energy: -60.399 flat angles P-C4'-P energy: -35.196 tors. eta vs tors. theta energy: -6.491 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: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -440.721642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.721642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.721642 (E_RNA) where: Base-Base interactions energy: -258.802 where: short stacking energy: -130.527 Base-Backbone interact. energy: -1.774 local terms energy: -180.146047 where: bonds (distance) C4'-P energy: -45.003 bonds (distance) P-C4' energy: -52.830 flat angles C4'-P-C4' energy: -56.135 flat angles P-C4'-P energy: -22.958 tors. eta vs tors. theta energy: -3.220 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: 10, replica: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -283.843347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.843347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.843347 (E_RNA) where: Base-Base interactions energy: -109.172 where: short stacking energy: -84.267 Base-Backbone interact. energy: 1.844 local terms energy: -176.515341 where: bonds (distance) C4'-P energy: -54.002 bonds (distance) P-C4' energy: -52.903 flat angles C4'-P-C4' energy: -44.051 flat angles P-C4'-P energy: -19.195 tors. eta vs tors. theta energy: -6.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1094.403324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.403324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.403324 (E_RNA) where: Base-Base interactions energy: -740.903 where: short stacking energy: -330.434 Base-Backbone interact. energy: -2.105 local terms energy: -351.394456 where: bonds (distance) C4'-P energy: -65.491 bonds (distance) P-C4' energy: -67.960 flat angles C4'-P-C4' energy: -71.330 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -98.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1019.120130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.120130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.120130 (E_RNA) where: Base-Base interactions energy: -685.893 where: short stacking energy: -315.674 Base-Backbone interact. energy: -3.061 local terms energy: -330.166508 where: bonds (distance) C4'-P energy: -61.589 bonds (distance) P-C4' energy: -61.157 flat angles C4'-P-C4' energy: -74.471 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -89.112 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: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -960.374781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.374781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.374781 (E_RNA) where: Base-Base interactions energy: -642.689 where: short stacking energy: -292.017 Base-Backbone interact. energy: 0.574 local terms energy: -318.259434 where: bonds (distance) C4'-P energy: -60.194 bonds (distance) P-C4' energy: -65.876 flat angles C4'-P-C4' energy: -63.545 flat angles P-C4'-P energy: -39.032 tors. eta vs tors. theta energy: -89.613 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: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -878.283452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.283452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.283452 (E_RNA) where: Base-Base interactions energy: -581.498 where: short stacking energy: -268.091 Base-Backbone interact. energy: 5.000 local terms energy: -301.785590 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -67.884 flat angles C4'-P-C4' energy: -52.638 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -74.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -838.600928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.600928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.600928 (E_RNA) where: Base-Base interactions energy: -532.686 where: short stacking energy: -257.841 Base-Backbone interact. energy: 0.339 local terms energy: -306.253839 where: bonds (distance) C4'-P energy: -59.150 bonds (distance) P-C4' energy: -66.809 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -39.066 tors. eta vs tors. theta energy: -71.198 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: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -794.545370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.545370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.545370 (E_RNA) where: Base-Base interactions energy: -530.954 where: short stacking energy: -237.606 Base-Backbone interact. energy: -0.926 local terms energy: -262.664933 where: bonds (distance) C4'-P energy: -54.640 bonds (distance) P-C4' energy: -53.230 flat angles C4'-P-C4' energy: -65.852 flat angles P-C4'-P energy: -31.973 tors. eta vs tors. theta energy: -56.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -640.395535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.395535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.395535 (E_RNA) where: Base-Base interactions energy: -408.963 where: short stacking energy: -176.611 Base-Backbone interact. energy: -1.610 local terms energy: -229.821950 where: bonds (distance) C4'-P energy: -51.094 bonds (distance) P-C4' energy: -57.973 flat angles C4'-P-C4' energy: -59.384 flat angles P-C4'-P energy: -32.469 tors. eta vs tors. theta energy: -28.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -490.740646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.740646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.740646 (E_RNA) where: Base-Base interactions energy: -289.734 where: short stacking energy: -148.055 Base-Backbone interact. energy: 0.206 local terms energy: -201.212625 where: bonds (distance) C4'-P energy: -46.440 bonds (distance) P-C4' energy: -45.870 flat angles C4'-P-C4' energy: -50.684 flat angles P-C4'-P energy: -24.594 tors. eta vs tors. theta energy: -33.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -445.106821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.106821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.106821 (E_RNA) where: Base-Base interactions energy: -236.367 where: short stacking energy: -134.796 Base-Backbone interact. energy: 1.480 local terms energy: -210.219729 where: bonds (distance) C4'-P energy: -59.626 bonds (distance) P-C4' energy: -57.454 flat angles C4'-P-C4' energy: -57.344 flat angles P-C4'-P energy: -22.856 tors. eta vs tors. theta energy: -12.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -278.226995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.226995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.226995 (E_RNA) where: Base-Base interactions energy: -89.027 where: short stacking energy: -84.266 Base-Backbone interact. energy: 3.015 local terms energy: -192.214740 where: bonds (distance) C4'-P energy: -60.933 bonds (distance) P-C4' energy: -60.704 flat angles C4'-P-C4' energy: -38.812 flat angles P-C4'-P energy: -33.950 tors. eta vs tors. theta energy: 2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1086.844849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.844849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.844849 (E_RNA) where: Base-Base interactions energy: -744.377 where: short stacking energy: -341.307 Base-Backbone interact. energy: -1.924 local terms energy: -340.544465 where: bonds (distance) C4'-P energy: -55.311 bonds (distance) P-C4' energy: -62.525 flat angles C4'-P-C4' energy: -74.652 flat angles P-C4'-P energy: -46.832 tors. eta vs tors. theta energy: -101.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1017.036061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.036061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.036061 (E_RNA) where: Base-Base interactions energy: -674.812 where: short stacking energy: -300.732 Base-Backbone interact. energy: 0.412 local terms energy: -342.635540 where: bonds (distance) C4'-P energy: -57.350 bonds (distance) P-C4' energy: -69.872 flat angles C4'-P-C4' energy: -74.391 flat angles P-C4'-P energy: -54.727 tors. eta vs tors. theta energy: -86.296 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: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -965.449382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.449382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.449382 (E_RNA) where: Base-Base interactions energy: -641.463 where: short stacking energy: -289.884 Base-Backbone interact. energy: 1.036 local terms energy: -325.021796 where: bonds (distance) C4'-P energy: -61.744 bonds (distance) P-C4' energy: -64.646 flat angles C4'-P-C4' energy: -64.023 flat angles P-C4'-P energy: -53.079 tors. eta vs tors. theta energy: -81.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -870.727084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.727084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.727084 (E_RNA) where: Base-Base interactions energy: -579.209 where: short stacking energy: -246.375 Base-Backbone interact. energy: -2.834 local terms energy: -288.683355 where: bonds (distance) C4'-P energy: -50.453 bonds (distance) P-C4' energy: -65.336 flat angles C4'-P-C4' energy: -62.729 flat angles P-C4'-P energy: -34.180 tors. eta vs tors. theta energy: -75.984 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: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -818.656770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.656770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.656770 (E_RNA) where: Base-Base interactions energy: -525.304 where: short stacking energy: -215.010 Base-Backbone interact. energy: 0.876 local terms energy: -294.228589 where: bonds (distance) C4'-P energy: -61.616 bonds (distance) P-C4' energy: -61.234 flat angles C4'-P-C4' energy: -64.447 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -60.610 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: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -768.066425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.066425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.066425 (E_RNA) where: Base-Base interactions energy: -538.086 where: short stacking energy: -223.757 Base-Backbone interact. energy: -1.501 local terms energy: -228.478632 where: bonds (distance) C4'-P energy: -49.967 bonds (distance) P-C4' energy: -47.839 flat angles C4'-P-C4' energy: -52.476 flat angles P-C4'-P energy: -25.500 tors. eta vs tors. theta energy: -52.697 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: 383 Temperature: 1.200000 Total energy: -689.525512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.525512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.525512 (E_RNA) where: Base-Base interactions energy: -458.232 where: short stacking energy: -194.901 Base-Backbone interact. energy: -1.280 local terms energy: -230.013442 where: bonds (distance) C4'-P energy: -50.062 bonds (distance) P-C4' energy: -51.117 flat angles C4'-P-C4' energy: -61.206 flat angles P-C4'-P energy: -28.829 tors. eta vs tors. theta energy: -38.799 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: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -424.751109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.751109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.751109 (E_RNA) where: Base-Base interactions energy: -246.488 where: short stacking energy: -112.966 Base-Backbone interact. energy: -1.245 local terms energy: -177.018115 where: bonds (distance) C4'-P energy: -59.034 bonds (distance) P-C4' energy: -53.367 flat angles C4'-P-C4' energy: -41.006 flat angles P-C4'-P energy: -20.550 tors. eta vs tors. theta energy: -3.060 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: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -479.504659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.504659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.504659 (E_RNA) where: Base-Base interactions energy: -273.564 where: short stacking energy: -108.237 Base-Backbone interact. energy: 1.317 local terms energy: -207.257662 where: bonds (distance) C4'-P energy: -45.664 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -56.234 flat angles P-C4'-P energy: -33.190 tors. eta vs tors. theta energy: -12.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -280.724280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.724280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.724280 (E_RNA) where: Base-Base interactions energy: -109.323 where: short stacking energy: -102.633 Base-Backbone interact. energy: 1.697 local terms energy: -173.097977 where: bonds (distance) C4'-P energy: -59.076 bonds (distance) P-C4' energy: -44.564 flat angles C4'-P-C4' energy: -34.234 flat angles P-C4'-P energy: -35.418 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1080.669357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.669357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.669357 (E_RNA) where: Base-Base interactions energy: -748.290 where: short stacking energy: -339.125 Base-Backbone interact. energy: 2.703 local terms energy: -335.082653 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -61.016 flat angles C4'-P-C4' energy: -71.891 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -92.114 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: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1004.752109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.752109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.752109 (E_RNA) where: Base-Base interactions energy: -671.290 where: short stacking energy: -290.454 Base-Backbone interact. energy: -2.374 local terms energy: -331.087799 where: bonds (distance) C4'-P energy: -61.696 bonds (distance) P-C4' energy: -61.914 flat angles C4'-P-C4' energy: -68.679 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -90.682 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: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -963.495013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.495013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.495013 (E_RNA) where: Base-Base interactions energy: -639.600 where: short stacking energy: -307.570 Base-Backbone interact. energy: -1.288 local terms energy: -322.607091 where: bonds (distance) C4'-P energy: -62.220 bonds (distance) P-C4' energy: -64.877 flat angles C4'-P-C4' energy: -61.139 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -88.145 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: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -849.231550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.231550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.231550 (E_RNA) where: Base-Base interactions energy: -578.725 where: short stacking energy: -246.220 Base-Backbone interact. energy: 1.102 local terms energy: -271.608261 where: bonds (distance) C4'-P energy: -57.243 bonds (distance) P-C4' energy: -55.525 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -32.565 tors. eta vs tors. theta energy: -65.293 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: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -800.192958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.192958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.192958 (E_RNA) where: Base-Base interactions energy: -521.125 where: short stacking energy: -231.896 Base-Backbone interact. energy: 0.007 local terms energy: -279.075319 where: bonds (distance) C4'-P energy: -60.679 bonds (distance) P-C4' energy: -56.352 flat angles C4'-P-C4' energy: -57.773 flat angles P-C4'-P energy: -49.757 tors. eta vs tors. theta energy: -54.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -801.446730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.446730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.446730 (E_RNA) where: Base-Base interactions energy: -518.487 where: short stacking energy: -240.351 Base-Backbone interact. energy: -2.385 local terms energy: -280.574419 where: bonds (distance) C4'-P energy: -47.485 bonds (distance) P-C4' energy: -68.987 flat angles C4'-P-C4' energy: -54.565 flat angles P-C4'-P energy: -37.342 tors. eta vs tors. theta energy: -72.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -700.394441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.394441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.394441 (E_RNA) where: Base-Base interactions energy: -444.192 where: short stacking energy: -190.135 Base-Backbone interact. energy: -1.895 local terms energy: -254.306939 where: bonds (distance) C4'-P energy: -53.318 bonds (distance) P-C4' energy: -58.086 flat angles C4'-P-C4' energy: -58.356 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: -47.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -448.085166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.085166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.085166 (E_RNA) where: Base-Base interactions energy: -217.965 where: short stacking energy: -117.291 Base-Backbone interact. energy: 0.311 local terms energy: -230.430762 where: bonds (distance) C4'-P energy: -55.928 bonds (distance) P-C4' energy: -68.793 flat angles C4'-P-C4' energy: -46.166 flat angles P-C4'-P energy: -38.945 tors. eta vs tors. theta energy: -20.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -438.153433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.153433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.153433 (E_RNA) where: Base-Base interactions energy: -238.769 where: short stacking energy: -135.904 Base-Backbone interact. energy: 1.175 local terms energy: -200.559598 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -57.108 flat angles C4'-P-C4' energy: -49.385 flat angles P-C4'-P energy: -24.881 tors. eta vs tors. theta energy: -10.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -290.969001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.969001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.969001 (E_RNA) where: Base-Base interactions energy: -129.201 where: short stacking energy: -102.678 Base-Backbone interact. energy: -1.517 local terms energy: -160.251009 where: bonds (distance) C4'-P energy: -49.421 bonds (distance) P-C4' energy: -39.752 flat angles C4'-P-C4' energy: -48.328 flat angles P-C4'-P energy: -21.814 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1085.616467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.616467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.616467 (E_RNA) where: Base-Base interactions energy: -741.582 where: short stacking energy: -331.083 Base-Backbone interact. energy: -3.318 local terms energy: -340.716630 where: bonds (distance) C4'-P energy: -53.453 bonds (distance) P-C4' energy: -69.648 flat angles C4'-P-C4' energy: -75.291 flat angles P-C4'-P energy: -55.090 tors. eta vs tors. theta energy: -87.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1012.395555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.395555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.395555 (E_RNA) where: Base-Base interactions energy: -687.855 where: short stacking energy: -308.593 Base-Backbone interact. energy: -1.555 local terms energy: -322.985875 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -61.185 flat angles C4'-P-C4' energy: -71.910 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: -83.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -988.191345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.191345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.191345 (E_RNA) where: Base-Base interactions energy: -661.285 where: short stacking energy: -312.154 Base-Backbone interact. energy: -0.586 local terms energy: -326.320129 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -68.558 flat angles C4'-P-C4' energy: -59.772 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -90.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -934.313573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.313573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.313573 (E_RNA) where: Base-Base interactions energy: -606.287 where: short stacking energy: -259.659 Base-Backbone interact. energy: -0.370 local terms energy: -327.656100 where: bonds (distance) C4'-P energy: -64.286 bonds (distance) P-C4' energy: -67.064 flat angles C4'-P-C4' energy: -66.774 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: -76.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -828.852588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.852588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.852588 (E_RNA) where: Base-Base interactions energy: -512.828 where: short stacking energy: -230.809 Base-Backbone interact. energy: 0.550 local terms energy: -316.574702 where: bonds (distance) C4'-P energy: -67.502 bonds (distance) P-C4' energy: -66.909 flat angles C4'-P-C4' energy: -69.891 flat angles P-C4'-P energy: -40.058 tors. eta vs tors. theta energy: -72.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -771.278346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.278346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.278346 (E_RNA) where: Base-Base interactions energy: -512.406 where: short stacking energy: -212.323 Base-Backbone interact. energy: -1.524 local terms energy: -257.348859 where: bonds (distance) C4'-P energy: -50.889 bonds (distance) P-C4' energy: -58.370 flat angles C4'-P-C4' energy: -57.532 flat angles P-C4'-P energy: -38.804 tors. eta vs tors. theta energy: -51.755 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: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -681.335463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.335463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.335463 (E_RNA) where: Base-Base interactions energy: -417.987 where: short stacking energy: -197.460 Base-Backbone interact. energy: -2.012 local terms energy: -261.336785 where: bonds (distance) C4'-P energy: -54.153 bonds (distance) P-C4' energy: -57.292 flat angles C4'-P-C4' energy: -68.484 flat angles P-C4'-P energy: -36.428 tors. eta vs tors. theta energy: -44.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -509.790907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.790907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.790907 (E_RNA) where: Base-Base interactions energy: -287.153 where: short stacking energy: -144.194 Base-Backbone interact. energy: -1.456 local terms energy: -221.181917 where: bonds (distance) C4'-P energy: -54.447 bonds (distance) P-C4' energy: -50.839 flat angles C4'-P-C4' energy: -56.917 flat angles P-C4'-P energy: -35.471 tors. eta vs tors. theta energy: -23.508 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: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -461.715444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.715444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.715444 (E_RNA) where: Base-Base interactions energy: -245.660 where: short stacking energy: -149.673 Base-Backbone interact. energy: -0.507 local terms energy: -215.548470 where: bonds (distance) C4'-P energy: -42.752 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -57.200 flat angles P-C4'-P energy: -30.177 tors. eta vs tors. theta energy: -27.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -262.085645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.085645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.085645 (E_RNA) where: Base-Base interactions energy: -90.852 where: short stacking energy: -68.964 Base-Backbone interact. energy: 1.735 local terms energy: -172.967949 where: bonds (distance) C4'-P energy: -47.730 bonds (distance) P-C4' energy: -51.142 flat angles C4'-P-C4' energy: -50.162 flat angles P-C4'-P energy: -32.976 tors. eta vs tors. theta energy: 9.043 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: 386 Temperature: 0.900000 Total energy: -1031.712049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.712049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.712049 (E_RNA) where: Base-Base interactions energy: -684.876 where: short stacking energy: -318.436 Base-Backbone interact. energy: -1.001 local terms energy: -345.835542 where: bonds (distance) C4'-P energy: -71.575 bonds (distance) P-C4' energy: -58.679 flat angles C4'-P-C4' energy: -70.114 flat angles P-C4'-P energy: -55.109 tors. eta vs tors. theta energy: -90.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1046.095580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.095580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.095580 (E_RNA) where: Base-Base interactions energy: -726.358 where: short stacking energy: -310.132 Base-Backbone interact. energy: -0.494 local terms energy: -319.244137 where: bonds (distance) C4'-P energy: -62.067 bonds (distance) P-C4' energy: -56.871 flat angles C4'-P-C4' energy: -64.597 flat angles P-C4'-P energy: -48.831 tors. eta vs tors. theta energy: -86.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -965.359410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.359410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.359410 (E_RNA) where: Base-Base interactions energy: -642.189 where: short stacking energy: -276.659 Base-Backbone interact. energy: -3.986 local terms energy: -319.184078 where: bonds (distance) C4'-P energy: -50.458 bonds (distance) P-C4' energy: -71.687 flat angles C4'-P-C4' energy: -71.762 flat angles P-C4'-P energy: -44.938 tors. eta vs tors. theta energy: -80.339 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: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -945.810173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.810173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.810173 (E_RNA) where: Base-Base interactions energy: -639.779 where: short stacking energy: -280.395 Base-Backbone interact. energy: -0.938 local terms energy: -305.093092 where: bonds (distance) C4'-P energy: -56.327 bonds (distance) P-C4' energy: -53.949 flat angles C4'-P-C4' energy: -65.777 flat angles P-C4'-P energy: -50.476 tors. eta vs tors. theta energy: -78.565 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: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -827.109155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.109155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.109155 (E_RNA) where: Base-Base interactions energy: -545.486 where: short stacking energy: -241.367 Base-Backbone interact. energy: -1.203 local terms energy: -280.420202 where: bonds (distance) C4'-P energy: -72.795 bonds (distance) P-C4' energy: -61.703 flat angles C4'-P-C4' energy: -60.579 flat angles P-C4'-P energy: -31.069 tors. eta vs tors. theta energy: -54.274 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: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -804.659788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.659788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.659788 (E_RNA) where: Base-Base interactions energy: -521.447 where: short stacking energy: -249.674 Base-Backbone interact. energy: -1.011 local terms energy: -282.202307 where: bonds (distance) C4'-P energy: -45.422 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -59.200 flat angles P-C4'-P energy: -43.146 tors. eta vs tors. theta energy: -74.612 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: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -696.862674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.862674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.862674 (E_RNA) where: Base-Base interactions energy: -460.227 where: short stacking energy: -194.736 Base-Backbone interact. energy: 1.543 local terms energy: -238.178673 where: bonds (distance) C4'-P energy: -50.869 bonds (distance) P-C4' energy: -53.205 flat angles C4'-P-C4' energy: -56.965 flat angles P-C4'-P energy: -28.676 tors. eta vs tors. theta energy: -48.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -434.538458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.538458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.538458 (E_RNA) where: Base-Base interactions energy: -228.101 where: short stacking energy: -125.518 Base-Backbone interact. energy: -2.405 local terms energy: -204.032303 where: bonds (distance) C4'-P energy: -60.558 bonds (distance) P-C4' energy: -57.284 flat angles C4'-P-C4' energy: -54.702 flat angles P-C4'-P energy: -32.937 tors. eta vs tors. theta energy: 1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -396.431579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.431579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.431579 (E_RNA) where: Base-Base interactions energy: -194.243 where: short stacking energy: -109.952 Base-Backbone interact. energy: -0.700 local terms energy: -201.487921 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -56.258 flat angles C4'-P-C4' energy: -47.888 flat angles P-C4'-P energy: -26.815 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -255.700143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.700143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.700143 (E_RNA) where: Base-Base interactions energy: -60.761 where: short stacking energy: -45.651 Base-Backbone interact. energy: -0.765 local terms energy: -194.174338 where: bonds (distance) C4'-P energy: -61.562 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -26.596 tors. eta vs tors. theta energy: 11.310 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: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1023.988065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.988065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.988065 (E_RNA) where: Base-Base interactions energy: -690.701 where: short stacking energy: -307.437 Base-Backbone interact. energy: 2.273 local terms energy: -335.559628 where: bonds (distance) C4'-P energy: -59.744 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -76.622 flat angles P-C4'-P energy: -49.572 tors. eta vs tors. theta energy: -88.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1041.258887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.258887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.258887 (E_RNA) where: Base-Base interactions energy: -716.269 where: short stacking energy: -308.873 Base-Backbone interact. energy: 0.189 local terms energy: -325.177949 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -60.412 flat angles C4'-P-C4' energy: -68.787 flat angles P-C4'-P energy: -42.853 tors. eta vs tors. theta energy: -89.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -956.591701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.591701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.591701 (E_RNA) where: Base-Base interactions energy: -628.550 where: short stacking energy: -283.283 Base-Backbone interact. energy: -0.498 local terms energy: -327.544491 where: bonds (distance) C4'-P energy: -58.115 bonds (distance) P-C4' energy: -67.631 flat angles C4'-P-C4' energy: -78.160 flat angles P-C4'-P energy: -39.194 tors. eta vs tors. theta energy: -84.444 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: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -918.247734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.247734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.247734 (E_RNA) where: Base-Base interactions energy: -610.038 where: short stacking energy: -268.716 Base-Backbone interact. energy: 1.498 local terms energy: -309.707252 where: bonds (distance) C4'-P energy: -56.317 bonds (distance) P-C4' energy: -58.549 flat angles C4'-P-C4' energy: -68.064 flat angles P-C4'-P energy: -43.277 tors. eta vs tors. theta energy: -83.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -810.551107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.551107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.551107 (E_RNA) where: Base-Base interactions energy: -544.710 where: short stacking energy: -255.625 Base-Backbone interact. energy: -2.117 local terms energy: -263.723681 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -50.147 flat angles C4'-P-C4' energy: -54.232 flat angles P-C4'-P energy: -35.946 tors. eta vs tors. theta energy: -64.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -753.309224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.309224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.309224 (E_RNA) where: Base-Base interactions energy: -501.090 where: short stacking energy: -215.111 Base-Backbone interact. energy: -0.639 local terms energy: -251.580179 where: bonds (distance) C4'-P energy: -43.094 bonds (distance) P-C4' energy: -56.915 flat angles C4'-P-C4' energy: -60.397 flat angles P-C4'-P energy: -35.919 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: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -728.245711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.245711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.245711 (E_RNA) where: Base-Base interactions energy: -478.262 where: short stacking energy: -224.066 Base-Backbone interact. energy: -1.452 local terms energy: -248.532031 where: bonds (distance) C4'-P energy: -53.853 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -52.537 flat angles P-C4'-P energy: -26.605 tors. eta vs tors. theta energy: -51.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -451.447795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.447795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.447795 (E_RNA) where: Base-Base interactions energy: -265.363 where: short stacking energy: -144.839 Base-Backbone interact. energy: 2.156 local terms energy: -188.241032 where: bonds (distance) C4'-P energy: -54.159 bonds (distance) P-C4' energy: -47.427 flat angles C4'-P-C4' energy: -46.663 flat angles P-C4'-P energy: -25.145 tors. eta vs tors. theta energy: -14.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -375.041263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.041263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.041263 (E_RNA) where: Base-Base interactions energy: -197.361 where: short stacking energy: -106.911 Base-Backbone interact. energy: -0.194 local terms energy: -177.486446 where: bonds (distance) C4'-P energy: -32.761 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -53.027 flat angles P-C4'-P energy: -29.238 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -256.304922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.304922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.304922 (E_RNA) where: Base-Base interactions energy: -80.781 where: short stacking energy: -79.446 Base-Backbone interact. energy: -0.512 local terms energy: -175.011940 where: bonds (distance) C4'-P energy: -54.777 bonds (distance) P-C4' energy: -57.424 flat angles C4'-P-C4' energy: -44.110 flat angles P-C4'-P energy: -20.512 tors. eta vs tors. theta energy: 1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1036.542292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.542292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.542292 (E_RNA) where: Base-Base interactions energy: -697.717 where: short stacking energy: -320.512 Base-Backbone interact. energy: -0.838 local terms energy: -337.987854 where: bonds (distance) C4'-P energy: -61.320 bonds (distance) P-C4' energy: -60.888 flat angles C4'-P-C4' energy: -76.095 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -92.657 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: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1025.497183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.497183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.497183 (E_RNA) where: Base-Base interactions energy: -686.530 where: short stacking energy: -300.590 Base-Backbone interact. energy: 0.322 local terms energy: -339.289222 where: bonds (distance) C4'-P energy: -70.049 bonds (distance) P-C4' energy: -66.498 flat angles C4'-P-C4' energy: -71.125 flat angles P-C4'-P energy: -46.900 tors. eta vs tors. theta energy: -84.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -962.303767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.303767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.303767 (E_RNA) where: Base-Base interactions energy: -649.473 where: short stacking energy: -307.118 Base-Backbone interact. energy: -2.814 local terms energy: -310.016801 where: bonds (distance) C4'-P energy: -50.204 bonds (distance) P-C4' energy: -65.296 flat angles C4'-P-C4' energy: -69.352 flat angles P-C4'-P energy: -41.610 tors. eta vs tors. theta energy: -83.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -902.283512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.283512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.283512 (E_RNA) where: Base-Base interactions energy: -604.239 where: short stacking energy: -255.750 Base-Backbone interact. energy: -2.146 local terms energy: -295.898080 where: bonds (distance) C4'-P energy: -52.171 bonds (distance) P-C4' energy: -66.754 flat angles C4'-P-C4' energy: -66.760 flat angles P-C4'-P energy: -41.075 tors. eta vs tors. theta energy: -69.137 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: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -832.447864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.447864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.447864 (E_RNA) where: Base-Base interactions energy: -562.589 where: short stacking energy: -248.095 Base-Backbone interact. energy: -2.097 local terms energy: -267.761926 where: bonds (distance) C4'-P energy: -41.743 bonds (distance) P-C4' energy: -43.688 flat angles C4'-P-C4' energy: -67.695 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -68.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -711.765502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.765502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.765502 (E_RNA) where: Base-Base interactions energy: -443.563 where: short stacking energy: -199.336 Base-Backbone interact. energy: 2.089 local terms energy: -270.291926 where: bonds (distance) C4'-P energy: -60.169 bonds (distance) P-C4' energy: -62.452 flat angles C4'-P-C4' energy: -59.920 flat angles P-C4'-P energy: -42.510 tors. eta vs tors. theta energy: -45.240 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: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -683.372741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.372741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.372741 (E_RNA) where: Base-Base interactions energy: -433.589 where: short stacking energy: -186.844 Base-Backbone interact. energy: -1.252 local terms energy: -248.532118 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -63.143 flat angles C4'-P-C4' energy: -55.864 flat angles P-C4'-P energy: -35.788 tors. eta vs tors. theta energy: -38.023 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: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -498.656670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.656670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.656670 (E_RNA) where: Base-Base interactions energy: -270.763 where: short stacking energy: -142.805 Base-Backbone interact. energy: -1.455 local terms energy: -226.438629 where: bonds (distance) C4'-P energy: -59.170 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -69.970 flat angles P-C4'-P energy: -32.330 tors. eta vs tors. theta energy: -9.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -374.127396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.127396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.127396 (E_RNA) where: Base-Base interactions energy: -176.046 where: short stacking energy: -105.700 Base-Backbone interact. energy: -2.258 local terms energy: -195.823718 where: bonds (distance) C4'-P energy: -46.517 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -48.676 flat angles P-C4'-P energy: -29.233 tors. eta vs tors. theta energy: -9.786 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: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -267.378961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.378961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.378961 (E_RNA) where: Base-Base interactions energy: -104.424 where: short stacking energy: -91.572 Base-Backbone interact. energy: 4.845 local terms energy: -167.799596 where: bonds (distance) C4'-P energy: -57.531 bonds (distance) P-C4' energy: -46.647 flat angles C4'-P-C4' energy: -41.840 flat angles P-C4'-P energy: -18.808 tors. eta vs tors. theta energy: -2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1050.789820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.789820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.789820 (E_RNA) where: Base-Base interactions energy: -717.961 where: short stacking energy: -307.824 Base-Backbone interact. energy: -0.938 local terms energy: -331.890665 where: bonds (distance) C4'-P energy: -60.860 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -67.102 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -91.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1043.902640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.902640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.902640 (E_RNA) where: Base-Base interactions energy: -718.511 where: short stacking energy: -313.682 Base-Backbone interact. energy: -1.639 local terms energy: -323.752858 where: bonds (distance) C4'-P energy: -59.088 bonds (distance) P-C4' energy: -62.679 flat angles C4'-P-C4' energy: -72.359 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -88.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -955.558665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.558665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.558665 (E_RNA) where: Base-Base interactions energy: -616.123 where: short stacking energy: -277.854 Base-Backbone interact. energy: -1.006 local terms energy: -338.428847 where: bonds (distance) C4'-P energy: -64.592 bonds (distance) P-C4' energy: -67.791 flat angles C4'-P-C4' energy: -73.541 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -82.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -969.299144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.299144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.299144 (E_RNA) where: Base-Base interactions energy: -643.760 where: short stacking energy: -276.492 Base-Backbone interact. energy: -0.534 local terms energy: -325.005615 where: bonds (distance) C4'-P energy: -66.455 bonds (distance) P-C4' energy: -60.408 flat angles C4'-P-C4' energy: -75.468 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -80.207 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: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -838.959638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.959638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.959638 (E_RNA) where: Base-Base interactions energy: -565.568 where: short stacking energy: -245.930 Base-Backbone interact. energy: -1.027 local terms energy: -272.364715 where: bonds (distance) C4'-P energy: -47.404 bonds (distance) P-C4' energy: -55.499 flat angles C4'-P-C4' energy: -56.287 flat angles P-C4'-P energy: -44.229 tors. eta vs tors. theta energy: -68.946 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: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -732.365306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.365306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.365306 (E_RNA) where: Base-Base interactions energy: -461.072 where: short stacking energy: -202.000 Base-Backbone interact. energy: -1.623 local terms energy: -269.669834 where: bonds (distance) C4'-P energy: -62.727 bonds (distance) P-C4' energy: -59.547 flat angles C4'-P-C4' energy: -55.341 flat angles P-C4'-P energy: -42.367 tors. eta vs tors. theta energy: -49.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -686.899530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.899530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.899530 (E_RNA) where: Base-Base interactions energy: -451.176 where: short stacking energy: -202.612 Base-Backbone interact. energy: 1.331 local terms energy: -237.055176 where: bonds (distance) C4'-P energy: -53.868 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -58.803 flat angles P-C4'-P energy: -30.060 tors. eta vs tors. theta energy: -38.006 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: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -446.791357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.791357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.791357 (E_RNA) where: Base-Base interactions energy: -261.747 where: short stacking energy: -128.094 Base-Backbone interact. energy: -1.385 local terms energy: -183.658535 where: bonds (distance) C4'-P energy: -53.891 bonds (distance) P-C4' energy: -52.637 flat angles C4'-P-C4' energy: -39.510 flat angles P-C4'-P energy: -23.761 tors. eta vs tors. theta energy: -13.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -332.561633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.561633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.561633 (E_RNA) where: Base-Base interactions energy: -132.607 where: short stacking energy: -74.079 Base-Backbone interact. energy: -2.984 local terms energy: -196.970316 where: bonds (distance) C4'-P energy: -52.704 bonds (distance) P-C4' energy: -61.620 flat angles C4'-P-C4' energy: -37.726 flat angles P-C4'-P energy: -38.313 tors. eta vs tors. theta energy: -6.607 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: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -268.700437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.700437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.700437 (E_RNA) where: Base-Base interactions energy: -86.253 where: short stacking energy: -86.224 Base-Backbone interact. energy: -2.761 local terms energy: -179.686540 where: bonds (distance) C4'-P energy: -56.307 bonds (distance) P-C4' energy: -65.638 flat angles C4'-P-C4' energy: -42.815 flat angles P-C4'-P energy: -32.239 tors. eta vs tors. theta energy: 17.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1055.321939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.321939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.321939 (E_RNA) where: Base-Base interactions energy: -716.912 where: short stacking energy: -306.045 Base-Backbone interact. energy: -3.297 local terms energy: -335.113269 where: bonds (distance) C4'-P energy: -68.551 bonds (distance) P-C4' energy: -65.571 flat angles C4'-P-C4' energy: -66.813 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: -85.044 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: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1039.703484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.703484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.703484 (E_RNA) where: Base-Base interactions energy: -688.943 where: short stacking energy: -297.763 Base-Backbone interact. energy: -1.856 local terms energy: -348.904315 where: bonds (distance) C4'-P energy: -66.652 bonds (distance) P-C4' energy: -74.047 flat angles C4'-P-C4' energy: -69.048 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: -87.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -982.944974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.944974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.944974 (E_RNA) where: Base-Base interactions energy: -661.477 where: short stacking energy: -301.018 Base-Backbone interact. energy: -1.184 local terms energy: -320.284340 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -53.199 flat angles C4'-P-C4' energy: -68.496 flat angles P-C4'-P energy: -44.329 tors. eta vs tors. theta energy: -92.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -964.621560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.621560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.621560 (E_RNA) where: Base-Base interactions energy: -662.090 where: short stacking energy: -296.127 Base-Backbone interact. energy: 0.151 local terms energy: -302.682579 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -49.001 flat angles C4'-P-C4' energy: -56.239 flat angles P-C4'-P energy: -46.858 tors. eta vs tors. theta energy: -95.247 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: 5, replica: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -834.735356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.735356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.735356 (E_RNA) where: Base-Base interactions energy: -562.992 where: short stacking energy: -236.031 Base-Backbone interact. energy: 1.218 local terms energy: -272.961985 where: bonds (distance) C4'-P energy: -59.818 bonds (distance) P-C4' energy: -51.432 flat angles C4'-P-C4' energy: -64.062 flat angles P-C4'-P energy: -45.152 tors. eta vs tors. theta energy: -52.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -763.392044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.392044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.392044 (E_RNA) where: Base-Base interactions energy: -499.308 where: short stacking energy: -240.536 Base-Backbone interact. energy: 1.781 local terms energy: -265.865330 where: bonds (distance) C4'-P energy: -56.208 bonds (distance) P-C4' energy: -52.179 flat angles C4'-P-C4' energy: -56.704 flat angles P-C4'-P energy: -36.292 tors. eta vs tors. theta energy: -64.483 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: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -716.942684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.942684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.942684 (E_RNA) where: Base-Base interactions energy: -452.279 where: short stacking energy: -212.373 Base-Backbone interact. energy: 1.174 local terms energy: -265.838072 where: bonds (distance) C4'-P energy: -50.551 bonds (distance) P-C4' energy: -55.632 flat angles C4'-P-C4' energy: -66.298 flat angles P-C4'-P energy: -40.646 tors. eta vs tors. theta energy: -52.711 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: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -403.041120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.041120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.041120 (E_RNA) where: Base-Base interactions energy: -187.951 where: short stacking energy: -109.778 Base-Backbone interact. energy: 2.957 local terms energy: -218.046651 where: bonds (distance) C4'-P energy: -55.105 bonds (distance) P-C4' energy: -66.459 flat angles C4'-P-C4' energy: -55.215 flat angles P-C4'-P energy: -31.546 tors. eta vs tors. theta energy: -9.721 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: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -287.756097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.756097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.756097 (E_RNA) where: Base-Base interactions energy: -95.860 where: short stacking energy: -85.122 Base-Backbone interact. energy: 0.149 local terms energy: -192.045236 where: bonds (distance) C4'-P energy: -52.396 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -49.874 flat angles P-C4'-P energy: -25.740 tors. eta vs tors. theta energy: 1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -263.661680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.661680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.661680 (E_RNA) where: Base-Base interactions energy: -89.987 where: short stacking energy: -71.859 Base-Backbone interact. energy: -0.164 local terms energy: -173.511450 where: bonds (distance) C4'-P energy: -36.390 bonds (distance) P-C4' energy: -65.935 flat angles C4'-P-C4' energy: -39.873 flat angles P-C4'-P energy: -33.111 tors. eta vs tors. theta energy: 1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1068.350771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.350771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.350771 (E_RNA) where: Base-Base interactions energy: -732.266 where: short stacking energy: -306.503 Base-Backbone interact. energy: -1.868 local terms energy: -334.216881 where: bonds (distance) C4'-P energy: -66.006 bonds (distance) P-C4' energy: -65.875 flat angles C4'-P-C4' energy: -69.516 flat angles P-C4'-P energy: -48.263 tors. eta vs tors. theta energy: -84.557 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: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1005.779261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.779261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.779261 (E_RNA) where: Base-Base interactions energy: -674.509 where: short stacking energy: -300.309 Base-Backbone interact. energy: -1.452 local terms energy: -329.818222 where: bonds (distance) C4'-P energy: -54.968 bonds (distance) P-C4' energy: -66.300 flat angles C4'-P-C4' energy: -74.080 flat angles P-C4'-P energy: -43.630 tors. eta vs tors. theta energy: -90.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -970.905965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.905965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.905965 (E_RNA) where: Base-Base interactions energy: -666.952 where: short stacking energy: -287.730 Base-Backbone interact. energy: 1.239 local terms energy: -305.192289 where: bonds (distance) C4'-P energy: -57.643 bonds (distance) P-C4' energy: -57.283 flat angles C4'-P-C4' energy: -65.522 flat angles P-C4'-P energy: -45.727 tors. eta vs tors. theta energy: -79.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -951.812493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.812493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.812493 (E_RNA) where: Base-Base interactions energy: -649.144 where: short stacking energy: -285.041 Base-Backbone interact. energy: 0.533 local terms energy: -303.201529 where: bonds (distance) C4'-P energy: -45.031 bonds (distance) P-C4' energy: -61.757 flat angles C4'-P-C4' energy: -74.191 flat angles P-C4'-P energy: -45.175 tors. eta vs tors. theta energy: -77.047 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: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -835.027949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.027949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.027949 (E_RNA) where: Base-Base interactions energy: -553.094 where: short stacking energy: -245.799 Base-Backbone interact. energy: -1.102 local terms energy: -280.831953 where: bonds (distance) C4'-P energy: -63.055 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -54.113 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: -64.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -762.314346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.314346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.314346 (E_RNA) where: Base-Base interactions energy: -482.270 where: short stacking energy: -236.882 Base-Backbone interact. energy: -1.550 local terms energy: -278.494587 where: bonds (distance) C4'-P energy: -54.718 bonds (distance) P-C4' energy: -64.740 flat angles C4'-P-C4' energy: -56.965 flat angles P-C4'-P energy: -35.000 tors. eta vs tors. theta energy: -67.071 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: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -703.998592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.998592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.998592 (E_RNA) where: Base-Base interactions energy: -448.985 where: short stacking energy: -199.133 Base-Backbone interact. energy: -0.742 local terms energy: -254.271119 where: bonds (distance) C4'-P energy: -63.127 bonds (distance) P-C4' energy: -54.460 flat angles C4'-P-C4' energy: -55.479 flat angles P-C4'-P energy: -37.489 tors. eta vs tors. theta energy: -43.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -407.137269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.137269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.137269 (E_RNA) where: Base-Base interactions energy: -216.689 where: short stacking energy: -111.056 Base-Backbone interact. energy: -1.166 local terms energy: -189.282314 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -45.702 flat angles C4'-P-C4' energy: -48.252 flat angles P-C4'-P energy: -32.775 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -294.460582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.460582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.460582 (E_RNA) where: Base-Base interactions energy: -110.239 where: short stacking energy: -81.695 Base-Backbone interact. energy: -1.292 local terms energy: -182.930021 where: bonds (distance) C4'-P energy: -46.886 bonds (distance) P-C4' energy: -64.970 flat angles C4'-P-C4' energy: -50.540 flat angles P-C4'-P energy: -21.738 tors. eta vs tors. theta energy: 1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -274.250397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.250397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.250397 (E_RNA) where: Base-Base interactions energy: -110.405 where: short stacking energy: -70.110 Base-Backbone interact. energy: 3.454 local terms energy: -167.299496 where: bonds (distance) C4'-P energy: -38.815 bonds (distance) P-C4' energy: -53.086 flat angles C4'-P-C4' energy: -46.422 flat angles P-C4'-P energy: -29.978 tors. eta vs tors. theta energy: 1.000 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: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1055.175432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.175432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.175432 (E_RNA) where: Base-Base interactions energy: -709.692 where: short stacking energy: -311.823 Base-Backbone interact. energy: -1.577 local terms energy: -343.906437 where: bonds (distance) C4'-P energy: -59.777 bonds (distance) P-C4' energy: -68.497 flat angles C4'-P-C4' energy: -73.668 flat angles P-C4'-P energy: -47.431 tors. eta vs tors. theta energy: -94.534 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: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1012.415708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.415708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.415708 (E_RNA) where: Base-Base interactions energy: -702.181 where: short stacking energy: -294.023 Base-Backbone interact. energy: -3.072 local terms energy: -307.162706 where: bonds (distance) C4'-P energy: -58.038 bonds (distance) P-C4' energy: -54.541 flat angles C4'-P-C4' energy: -65.153 flat angles P-C4'-P energy: -41.878 tors. eta vs tors. theta energy: -87.553 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: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1004.836598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.836598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.836598 (E_RNA) where: Base-Base interactions energy: -679.734 where: short stacking energy: -315.645 Base-Backbone interact. energy: -2.664 local terms energy: -322.438113 where: bonds (distance) C4'-P energy: -67.599 bonds (distance) P-C4' energy: -53.403 flat angles C4'-P-C4' energy: -65.839 flat angles P-C4'-P energy: -43.033 tors. eta vs tors. theta energy: -92.564 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: 4, replica: 9 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -965.800823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.800823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.800823 (E_RNA) where: Base-Base interactions energy: -674.954 where: short stacking energy: -289.709 Base-Backbone interact. energy: -1.705 local terms energy: -289.142105 where: bonds (distance) C4'-P energy: -56.410 bonds (distance) P-C4' energy: -56.411 flat angles C4'-P-C4' energy: -59.724 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: -72.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -886.334586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.334586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.334586 (E_RNA) where: Base-Base interactions energy: -595.405 where: short stacking energy: -261.081 Base-Backbone interact. energy: -0.352 local terms energy: -290.578413 where: bonds (distance) C4'-P energy: -54.106 bonds (distance) P-C4' energy: -61.364 flat angles C4'-P-C4' energy: -65.467 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -69.809 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: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -780.902859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.902859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.902859 (E_RNA) where: Base-Base interactions energy: -520.067 where: short stacking energy: -238.329 Base-Backbone interact. energy: -0.841 local terms energy: -259.995196 where: bonds (distance) C4'-P energy: -52.753 bonds (distance) P-C4' energy: -47.556 flat angles C4'-P-C4' energy: -56.169 flat angles P-C4'-P energy: -37.428 tors. eta vs tors. theta energy: -66.089 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: 392 Temperature: 1.200000 Total energy: -727.777095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.777095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.777095 (E_RNA) where: Base-Base interactions energy: -467.166 where: short stacking energy: -221.227 Base-Backbone interact. energy: -0.901 local terms energy: -259.710029 where: bonds (distance) C4'-P energy: -60.182 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -50.265 flat angles P-C4'-P energy: -41.167 tors. eta vs tors. theta energy: -47.237 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: 8, replica: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -421.359781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.359781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.359781 (E_RNA) where: Base-Base interactions energy: -230.074 where: short stacking energy: -120.135 Base-Backbone interact. energy: -0.857 local terms energy: -190.428090 where: bonds (distance) C4'-P energy: -44.981 bonds (distance) P-C4' energy: -47.361 flat angles C4'-P-C4' energy: -51.130 flat angles P-C4'-P energy: -34.036 tors. eta vs tors. theta energy: -12.920 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: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -299.710423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.710423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.710423 (E_RNA) where: Base-Base interactions energy: -107.735 where: short stacking energy: -103.628 Base-Backbone interact. energy: -1.306 local terms energy: -190.669752 where: bonds (distance) C4'-P energy: -45.903 bonds (distance) P-C4' energy: -53.843 flat angles C4'-P-C4' energy: -57.333 flat angles P-C4'-P energy: -24.676 tors. eta vs tors. theta energy: -8.914 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: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -288.842986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.842986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.842986 (E_RNA) where: Base-Base interactions energy: -131.223 where: short stacking energy: -92.587 Base-Backbone interact. energy: -0.336 local terms energy: -157.283676 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -53.136 flat angles C4'-P-C4' energy: -31.898 flat angles P-C4'-P energy: -24.474 tors. eta vs tors. theta energy: 12.556 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: 393 Temperature: 0.900000 Total energy: -1064.466977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.466977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.466977 (E_RNA) where: Base-Base interactions energy: -726.052 where: short stacking energy: -307.847 Base-Backbone interact. energy: -0.854 local terms energy: -337.561036 where: bonds (distance) C4'-P energy: -56.911 bonds (distance) P-C4' energy: -69.333 flat angles C4'-P-C4' energy: -72.611 flat angles P-C4'-P energy: -49.553 tors. eta vs tors. theta energy: -89.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -990.724945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.724945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.724945 (E_RNA) where: Base-Base interactions energy: -678.662 where: short stacking energy: -302.531 Base-Backbone interact. energy: -0.008 local terms energy: -312.054997 where: bonds (distance) C4'-P energy: -67.286 bonds (distance) P-C4' energy: -56.733 flat angles C4'-P-C4' energy: -61.934 flat angles P-C4'-P energy: -43.105 tors. eta vs tors. theta energy: -82.997 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: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -984.360698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.360698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.360698 (E_RNA) where: Base-Base interactions energy: -655.312 where: short stacking energy: -307.286 Base-Backbone interact. energy: 0.684 local terms energy: -329.732236 where: bonds (distance) C4'-P energy: -61.740 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -67.356 flat angles P-C4'-P energy: -45.141 tors. eta vs tors. theta energy: -87.932 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: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -912.765793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.765793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.765793 (E_RNA) where: Base-Base interactions energy: -597.880 where: short stacking energy: -267.308 Base-Backbone interact. energy: 0.672 local terms energy: -315.557838 where: bonds (distance) C4'-P energy: -60.123 bonds (distance) P-C4' energy: -67.666 flat angles C4'-P-C4' energy: -75.521 flat angles P-C4'-P energy: -38.546 tors. eta vs tors. theta energy: -73.702 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: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -946.008872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.008872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.008872 (E_RNA) where: Base-Base interactions energy: -643.082 where: short stacking energy: -284.569 Base-Backbone interact. energy: -1.656 local terms energy: -301.270764 where: bonds (distance) C4'-P energy: -57.519 bonds (distance) P-C4' energy: -47.346 flat angles C4'-P-C4' energy: -60.848 flat angles P-C4'-P energy: -52.574 tors. eta vs tors. theta energy: -82.984 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: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -764.640850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.640850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.640850 (E_RNA) where: Base-Base interactions energy: -517.802 where: short stacking energy: -223.174 Base-Backbone interact. energy: -2.245 local terms energy: -244.593994 where: bonds (distance) C4'-P energy: -50.269 bonds (distance) P-C4' energy: -46.072 flat angles C4'-P-C4' energy: -59.259 flat angles P-C4'-P energy: -27.761 tors. eta vs tors. theta energy: -61.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -734.361772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.361772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.361772 (E_RNA) where: Base-Base interactions energy: -461.790 where: short stacking energy: -208.517 Base-Backbone interact. energy: 2.629 local terms energy: -275.201543 where: bonds (distance) C4'-P energy: -55.340 bonds (distance) P-C4' energy: -61.455 flat angles C4'-P-C4' energy: -50.840 flat angles P-C4'-P energy: -47.382 tors. eta vs tors. theta energy: -60.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -401.195528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.195528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.195528 (E_RNA) where: Base-Base interactions energy: -203.428 where: short stacking energy: -129.731 Base-Backbone interact. energy: 3.851 local terms energy: -201.618140 where: bonds (distance) C4'-P energy: -45.775 bonds (distance) P-C4' energy: -49.147 flat angles C4'-P-C4' energy: -59.169 flat angles P-C4'-P energy: -29.277 tors. eta vs tors. theta energy: -18.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -326.020669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.020669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.020669 (E_RNA) where: Base-Base interactions energy: -123.962 where: short stacking energy: -96.697 Base-Backbone interact. energy: -0.793 local terms energy: -201.265752 where: bonds (distance) C4'-P energy: -45.285 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -49.955 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: -12.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -295.879125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.879125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.879125 (E_RNA) where: Base-Base interactions energy: -124.078 where: short stacking energy: -92.144 Base-Backbone interact. energy: 1.856 local terms energy: -173.657613 where: bonds (distance) C4'-P energy: -57.053 bonds (distance) P-C4' energy: -41.665 flat angles C4'-P-C4' energy: -41.258 flat angles P-C4'-P energy: -29.278 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1084.474627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.474627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.474627 (E_RNA) where: Base-Base interactions energy: -737.898 where: short stacking energy: -318.690 Base-Backbone interact. energy: -2.481 local terms energy: -344.096459 where: bonds (distance) C4'-P energy: -57.423 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -76.572 flat angles P-C4'-P energy: -48.259 tors. eta vs tors. theta energy: -91.376 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: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -997.586092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.586092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.586092 (E_RNA) where: Base-Base interactions energy: -690.291 where: short stacking energy: -304.381 Base-Backbone interact. energy: -0.183 local terms energy: -307.112641 where: bonds (distance) C4'-P energy: -58.176 bonds (distance) P-C4' energy: -55.806 flat angles C4'-P-C4' energy: -64.455 flat angles P-C4'-P energy: -41.051 tors. eta vs tors. theta energy: -87.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -976.544653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.544653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.544653 (E_RNA) where: Base-Base interactions energy: -646.959 where: short stacking energy: -285.280 Base-Backbone interact. energy: -0.812 local terms energy: -328.774232 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -66.728 flat angles C4'-P-C4' energy: -78.228 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: -82.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -905.245082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.245082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.245082 (E_RNA) where: Base-Base interactions energy: -602.289 where: short stacking energy: -280.449 Base-Backbone interact. energy: -0.975 local terms energy: -301.980965 where: bonds (distance) C4'-P energy: -60.378 bonds (distance) P-C4' energy: -66.505 flat angles C4'-P-C4' energy: -57.388 flat angles P-C4'-P energy: -48.302 tors. eta vs tors. theta energy: -69.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -914.678825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.678825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.678825 (E_RNA) where: Base-Base interactions energy: -606.479 where: short stacking energy: -261.829 Base-Backbone interact. energy: 1.531 local terms energy: -309.730985 where: bonds (distance) C4'-P energy: -62.518 bonds (distance) P-C4' energy: -65.613 flat angles C4'-P-C4' energy: -67.921 flat angles P-C4'-P energy: -44.813 tors. eta vs tors. theta energy: -68.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -747.401470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.401470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.401470 (E_RNA) where: Base-Base interactions energy: -469.547 where: short stacking energy: -229.250 Base-Backbone interact. energy: -1.970 local terms energy: -275.884557 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -55.219 flat angles C4'-P-C4' energy: -62.549 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -62.354 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: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -753.594654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.594654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.594654 (E_RNA) where: Base-Base interactions energy: -494.227 where: short stacking energy: -232.170 Base-Backbone interact. energy: 3.574 local terms energy: -262.941854 where: bonds (distance) C4'-P energy: -48.434 bonds (distance) P-C4' energy: -51.879 flat angles C4'-P-C4' energy: -64.931 flat angles P-C4'-P energy: -39.899 tors. eta vs tors. theta energy: -57.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -427.281221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.281221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.281221 (E_RNA) where: Base-Base interactions energy: -222.421 where: short stacking energy: -107.566 Base-Backbone interact. energy: -1.458 local terms energy: -203.402132 where: bonds (distance) C4'-P energy: -52.828 bonds (distance) P-C4' energy: -60.330 flat angles C4'-P-C4' energy: -48.796 flat angles P-C4'-P energy: -36.118 tors. eta vs tors. theta energy: -5.330 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: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -291.835986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.835986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.835986 (E_RNA) where: Base-Base interactions energy: -116.221 where: short stacking energy: -99.092 Base-Backbone interact. energy: 0.318 local terms energy: -175.932276 where: bonds (distance) C4'-P energy: -44.940 bonds (distance) P-C4' energy: -52.623 flat angles C4'-P-C4' energy: -39.314 flat angles P-C4'-P energy: -34.645 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -296.081646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.081646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.081646 (E_RNA) where: Base-Base interactions energy: -131.466 where: short stacking energy: -81.055 Base-Backbone interact. energy: -1.823 local terms energy: -162.793258 where: bonds (distance) C4'-P energy: -44.313 bonds (distance) P-C4' energy: -60.452 flat angles C4'-P-C4' energy: -42.105 flat angles P-C4'-P energy: -28.877 tors. eta vs tors. theta energy: 12.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1088.808648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.808648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.808648 (E_RNA) where: Base-Base interactions energy: -737.078 where: short stacking energy: -329.540 Base-Backbone interact. energy: -2.102 local terms energy: -349.628165 where: bonds (distance) C4'-P energy: -69.128 bonds (distance) P-C4' energy: -59.211 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -55.087 tors. eta vs tors. theta energy: -99.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1001.496736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.496736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.496736 (E_RNA) where: Base-Base interactions energy: -666.702 where: short stacking energy: -295.630 Base-Backbone interact. energy: -1.456 local terms energy: -333.339181 where: bonds (distance) C4'-P energy: -61.494 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -74.327 flat angles P-C4'-P energy: -57.650 tors. eta vs tors. theta energy: -78.052 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: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -982.110618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.110618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.110618 (E_RNA) where: Base-Base interactions energy: -666.063 where: short stacking energy: -285.912 Base-Backbone interact. energy: -0.960 local terms energy: -315.088276 where: bonds (distance) C4'-P energy: -61.737 bonds (distance) P-C4' energy: -54.995 flat angles C4'-P-C4' energy: -68.330 flat angles P-C4'-P energy: -47.637 tors. eta vs tors. theta energy: -82.389 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: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -955.016030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.016030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.016030 (E_RNA) where: Base-Base interactions energy: -662.466 where: short stacking energy: -286.128 Base-Backbone interact. energy: 2.038 local terms energy: -294.587058 where: bonds (distance) C4'-P energy: -56.649 bonds (distance) P-C4' energy: -55.264 flat angles C4'-P-C4' energy: -66.225 flat angles P-C4'-P energy: -39.162 tors. eta vs tors. theta energy: -77.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -816.180423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.180423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.180423 (E_RNA) where: Base-Base interactions energy: -532.214 where: short stacking energy: -226.044 Base-Backbone interact. energy: -0.827 local terms energy: -283.139666 where: bonds (distance) C4'-P energy: -62.277 bonds (distance) P-C4' energy: -71.643 flat angles C4'-P-C4' energy: -51.820 flat angles P-C4'-P energy: -42.884 tors. eta vs tors. theta energy: -54.516 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: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -770.513751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.513751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.513751 (E_RNA) where: Base-Base interactions energy: -484.985 where: short stacking energy: -216.073 Base-Backbone interact. energy: -0.579 local terms energy: -284.950268 where: bonds (distance) C4'-P energy: -54.441 bonds (distance) P-C4' energy: -56.749 flat angles C4'-P-C4' energy: -62.698 flat angles P-C4'-P energy: -42.339 tors. eta vs tors. theta energy: -68.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -708.837713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.837713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.837713 (E_RNA) where: Base-Base interactions energy: -436.184 where: short stacking energy: -202.919 Base-Backbone interact. energy: 1.023 local terms energy: -273.677192 where: bonds (distance) C4'-P energy: -46.024 bonds (distance) P-C4' energy: -70.535 flat angles C4'-P-C4' energy: -64.289 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -50.442 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: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -360.082740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.082740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.082740 (E_RNA) where: Base-Base interactions energy: -155.375 where: short stacking energy: -120.936 Base-Backbone interact. energy: 1.975 local terms energy: -206.682976 where: bonds (distance) C4'-P energy: -49.449 bonds (distance) P-C4' energy: -58.916 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -27.410 tors. eta vs tors. theta energy: -14.059 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: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -388.830929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.830929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.830929 (E_RNA) where: Base-Base interactions energy: -193.475 where: short stacking energy: -106.521 Base-Backbone interact. energy: -2.037 local terms energy: -193.318696 where: bonds (distance) C4'-P energy: -50.840 bonds (distance) P-C4' energy: -49.134 flat angles C4'-P-C4' energy: -50.142 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: -10.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -311.598939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.598939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.598939 (E_RNA) where: Base-Base interactions energy: -138.880 where: short stacking energy: -81.024 Base-Backbone interact. energy: 0.810 local terms energy: -173.529044 where: bonds (distance) C4'-P energy: -42.912 bonds (distance) P-C4' energy: -55.039 flat angles C4'-P-C4' energy: -42.131 flat angles P-C4'-P energy: -32.667 tors. eta vs tors. theta energy: -0.780 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: 396 Temperature: 0.900000 Total energy: -1069.953603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.953603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.953603 (E_RNA) where: Base-Base interactions energy: -729.273 where: short stacking energy: -321.585 Base-Backbone interact. energy: -0.071 local terms energy: -340.609525 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -72.894 flat angles P-C4'-P energy: -49.364 tors. eta vs tors. theta energy: -94.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -977.739175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.739175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.739175 (E_RNA) where: Base-Base interactions energy: -641.852 where: short stacking energy: -280.720 Base-Backbone interact. energy: -1.819 local terms energy: -334.068741 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -66.724 flat angles C4'-P-C4' energy: -73.109 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -90.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1004.911672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.911672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.911672 (E_RNA) where: Base-Base interactions energy: -686.071 where: short stacking energy: -282.764 Base-Backbone interact. energy: -1.729 local terms energy: -317.111929 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -57.433 flat angles C4'-P-C4' energy: -74.161 flat angles P-C4'-P energy: -51.405 tors. eta vs tors. theta energy: -69.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -955.747047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.747047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.747047 (E_RNA) where: Base-Base interactions energy: -654.852 where: short stacking energy: -275.495 Base-Backbone interact. energy: -2.655 local terms energy: -298.240179 where: bonds (distance) C4'-P energy: -54.343 bonds (distance) P-C4' energy: -59.480 flat angles C4'-P-C4' energy: -59.461 flat angles P-C4'-P energy: -46.032 tors. eta vs tors. theta energy: -78.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -878.387010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.387010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.387010 (E_RNA) where: Base-Base interactions energy: -598.831 where: short stacking energy: -264.445 Base-Backbone interact. energy: -0.595 local terms energy: -278.960665 where: bonds (distance) C4'-P energy: -63.845 bonds (distance) P-C4' energy: -38.626 flat angles C4'-P-C4' energy: -63.553 flat angles P-C4'-P energy: -36.311 tors. eta vs tors. theta energy: -76.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -814.390822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.390822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.390822 (E_RNA) where: Base-Base interactions energy: -540.107 where: short stacking energy: -238.616 Base-Backbone interact. energy: -1.194 local terms energy: -273.089936 where: bonds (distance) C4'-P energy: -48.983 bonds (distance) P-C4' energy: -42.161 flat angles C4'-P-C4' energy: -67.370 flat angles P-C4'-P energy: -41.149 tors. eta vs tors. theta energy: -73.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -684.205385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.205385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.205385 (E_RNA) where: Base-Base interactions energy: -425.362 where: short stacking energy: -196.184 Base-Backbone interact. energy: 1.368 local terms energy: -260.211204 where: bonds (distance) C4'-P energy: -49.111 bonds (distance) P-C4' energy: -55.266 flat angles C4'-P-C4' energy: -55.378 flat angles P-C4'-P energy: -43.820 tors. eta vs tors. theta energy: -56.636 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: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -362.471126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.471126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.471126 (E_RNA) where: Base-Base interactions energy: -151.088 where: short stacking energy: -90.585 Base-Backbone interact. energy: -1.052 local terms energy: -210.331280 where: bonds (distance) C4'-P energy: -50.177 bonds (distance) P-C4' energy: -62.527 flat angles C4'-P-C4' energy: -51.432 flat angles P-C4'-P energy: -38.390 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -394.171627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.171627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.171627 (E_RNA) where: Base-Base interactions energy: -192.177 where: short stacking energy: -111.898 Base-Backbone interact. energy: -0.510 local terms energy: -201.484683 where: bonds (distance) C4'-P energy: -51.560 bonds (distance) P-C4' energy: -54.923 flat angles C4'-P-C4' energy: -57.775 flat angles P-C4'-P energy: -25.172 tors. eta vs tors. theta energy: -12.055 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: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -268.566563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.566563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.566563 (E_RNA) where: Base-Base interactions energy: -90.022 where: short stacking energy: -72.837 Base-Backbone interact. energy: 1.759 local terms energy: -180.303267 where: bonds (distance) C4'-P energy: -54.319 bonds (distance) P-C4' energy: -51.807 flat angles C4'-P-C4' energy: -56.168 flat angles P-C4'-P energy: -26.924 tors. eta vs tors. theta energy: 8.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1091.135715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.135715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.135715 (E_RNA) where: Base-Base interactions energy: -742.505 where: short stacking energy: -323.782 Base-Backbone interact. energy: 5.610 local terms energy: -354.241434 where: bonds (distance) C4'-P energy: -70.327 bonds (distance) P-C4' energy: -61.125 flat angles C4'-P-C4' energy: -75.914 flat angles P-C4'-P energy: -55.741 tors. eta vs tors. theta energy: -91.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1024.074977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.074977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.074977 (E_RNA) where: Base-Base interactions energy: -710.831 where: short stacking energy: -307.672 Base-Backbone interact. energy: -0.707 local terms energy: -312.536542 where: bonds (distance) C4'-P energy: -67.148 bonds (distance) P-C4' energy: -63.098 flat angles C4'-P-C4' energy: -64.020 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -72.808 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: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1007.872361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.872361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.872361 (E_RNA) where: Base-Base interactions energy: -667.070 where: short stacking energy: -299.612 Base-Backbone interact. energy: 1.281 local terms energy: -342.083393 where: bonds (distance) C4'-P energy: -62.348 bonds (distance) P-C4' energy: -67.312 flat angles C4'-P-C4' energy: -71.902 flat angles P-C4'-P energy: -49.632 tors. eta vs tors. theta energy: -90.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -963.431070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.431070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.431070 (E_RNA) where: Base-Base interactions energy: -653.676 where: short stacking energy: -287.235 Base-Backbone interact. energy: -3.367 local terms energy: -306.388933 where: bonds (distance) C4'-P energy: -48.026 bonds (distance) P-C4' energy: -62.239 flat angles C4'-P-C4' energy: -72.176 flat angles P-C4'-P energy: -40.318 tors. eta vs tors. theta energy: -83.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -792.321417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.321417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.321417 (E_RNA) where: Base-Base interactions energy: -518.702 where: short stacking energy: -240.126 Base-Backbone interact. energy: -1.037 local terms energy: -272.581871 where: bonds (distance) C4'-P energy: -55.721 bonds (distance) P-C4' energy: -54.117 flat angles C4'-P-C4' energy: -53.221 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -59.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -802.526272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.526272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.526272 (E_RNA) where: Base-Base interactions energy: -529.874 where: short stacking energy: -237.292 Base-Backbone interact. energy: 0.510 local terms energy: -273.161673 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -52.575 flat angles C4'-P-C4' energy: -61.772 flat angles P-C4'-P energy: -39.278 tors. eta vs tors. theta energy: -67.512 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: 397 Temperature: 1.200000 Total energy: -725.697044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.697044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.697044 (E_RNA) where: Base-Base interactions energy: -447.625 where: short stacking energy: -212.502 Base-Backbone interact. energy: 1.033 local terms energy: -279.105714 where: bonds (distance) C4'-P energy: -51.567 bonds (distance) P-C4' energy: -63.326 flat angles C4'-P-C4' energy: -68.722 flat angles P-C4'-P energy: -38.519 tors. eta vs tors. theta energy: -56.971 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: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -359.963522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.963522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.963522 (E_RNA) where: Base-Base interactions energy: -161.043 where: short stacking energy: -117.309 Base-Backbone interact. energy: -0.789 local terms energy: -198.131272 where: bonds (distance) C4'-P energy: -63.012 bonds (distance) P-C4' energy: -56.909 flat angles C4'-P-C4' energy: -44.796 flat angles P-C4'-P energy: -31.613 tors. eta vs tors. theta energy: -1.801 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: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -335.695781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.695781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.695781 (E_RNA) where: Base-Base interactions energy: -154.749 where: short stacking energy: -92.793 Base-Backbone interact. energy: -0.455 local terms energy: -180.491297 where: bonds (distance) C4'-P energy: -40.812 bonds (distance) P-C4' energy: -52.999 flat angles C4'-P-C4' energy: -52.135 flat angles P-C4'-P energy: -33.179 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -256.662264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.662264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.662264 (E_RNA) where: Base-Base interactions energy: -96.431 where: short stacking energy: -57.153 Base-Backbone interact. energy: 0.134 local terms energy: -160.364902 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -60.672 flat angles C4'-P-C4' energy: -39.328 flat angles P-C4'-P energy: -27.159 tors. eta vs tors. theta energy: 28.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1105.515132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.515132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.515132 (E_RNA) where: Base-Base interactions energy: -755.880 where: short stacking energy: -336.961 Base-Backbone interact. energy: -2.435 local terms energy: -347.200412 where: bonds (distance) C4'-P energy: -62.607 bonds (distance) P-C4' energy: -61.078 flat angles C4'-P-C4' energy: -75.485 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: -103.085 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: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1033.498404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.498404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.498404 (E_RNA) where: Base-Base interactions energy: -709.303 where: short stacking energy: -298.845 Base-Backbone interact. energy: -1.045 local terms energy: -323.149819 where: bonds (distance) C4'-P energy: -64.939 bonds (distance) P-C4' energy: -62.374 flat angles C4'-P-C4' energy: -65.971 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -81.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -987.523437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.523437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.523437 (E_RNA) where: Base-Base interactions energy: -665.672 where: short stacking energy: -281.866 Base-Backbone interact. energy: 0.948 local terms energy: -322.799304 where: bonds (distance) C4'-P energy: -60.587 bonds (distance) P-C4' energy: -69.661 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -35.342 tors. eta vs tors. theta energy: -84.929 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: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -963.056023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.056023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.056023 (E_RNA) where: Base-Base interactions energy: -642.446 where: short stacking energy: -297.631 Base-Backbone interact. energy: -2.684 local terms energy: -317.925905 where: bonds (distance) C4'-P energy: -58.489 bonds (distance) P-C4' energy: -61.032 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -43.216 tors. eta vs tors. theta energy: -88.299 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: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -852.199063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.199063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.199063 (E_RNA) where: Base-Base interactions energy: -564.699 where: short stacking energy: -256.032 Base-Backbone interact. energy: -0.375 local terms energy: -287.125264 where: bonds (distance) C4'-P energy: -56.705 bonds (distance) P-C4' energy: -53.185 flat angles C4'-P-C4' energy: -62.764 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: -69.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -769.163751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.163751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.163751 (E_RNA) where: Base-Base interactions energy: -507.339 where: short stacking energy: -244.720 Base-Backbone interact. energy: -0.650 local terms energy: -261.174667 where: bonds (distance) C4'-P energy: -55.114 bonds (distance) P-C4' energy: -57.721 flat angles C4'-P-C4' energy: -63.299 flat angles P-C4'-P energy: -28.530 tors. eta vs tors. theta energy: -56.510 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: 398 Temperature: 1.200000 Total energy: -673.038510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.038510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.038510 (E_RNA) where: Base-Base interactions energy: -440.369 where: short stacking energy: -194.624 Base-Backbone interact. energy: 0.291 local terms energy: -232.960929 where: bonds (distance) C4'-P energy: -50.533 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -49.757 flat angles P-C4'-P energy: -27.248 tors. eta vs tors. theta energy: -45.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -355.987803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.987803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.987803 (E_RNA) where: Base-Base interactions energy: -151.880 where: short stacking energy: -135.009 Base-Backbone interact. energy: 0.356 local terms energy: -204.464082 where: bonds (distance) C4'-P energy: -48.161 bonds (distance) P-C4' energy: -50.617 flat angles C4'-P-C4' energy: -49.707 flat angles P-C4'-P energy: -36.915 tors. eta vs tors. theta energy: -19.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -355.804853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.804853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.804853 (E_RNA) where: Base-Base interactions energy: -178.769 where: short stacking energy: -105.260 Base-Backbone interact. energy: -0.674 local terms energy: -176.361906 where: bonds (distance) C4'-P energy: -42.867 bonds (distance) P-C4' energy: -59.417 flat angles C4'-P-C4' energy: -52.894 flat angles P-C4'-P energy: -23.690 tors. eta vs tors. theta energy: 2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -254.710813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.710813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.710813 (E_RNA) where: Base-Base interactions energy: -92.611 where: short stacking energy: -73.800 Base-Backbone interact. energy: 1.084 local terms energy: -163.183105 where: bonds (distance) C4'-P energy: -46.699 bonds (distance) P-C4' energy: -46.865 flat angles C4'-P-C4' energy: -40.625 flat angles P-C4'-P energy: -32.755 tors. eta vs tors. theta energy: 3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1073.216329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.216329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.216329 (E_RNA) where: Base-Base interactions energy: -742.568 where: short stacking energy: -320.114 Base-Backbone interact. energy: -1.495 local terms energy: -329.153174 where: bonds (distance) C4'-P energy: -52.693 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -66.348 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -94.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1037.883220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.883220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.883220 (E_RNA) where: Base-Base interactions energy: -719.224 where: short stacking energy: -302.488 Base-Backbone interact. energy: 2.551 local terms energy: -321.210047 where: bonds (distance) C4'-P energy: -60.634 bonds (distance) P-C4' energy: -64.780 flat angles C4'-P-C4' energy: -68.900 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -77.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -976.932201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.932201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.932201 (E_RNA) where: Base-Base interactions energy: -678.937 where: short stacking energy: -291.191 Base-Backbone interact. energy: -2.507 local terms energy: -295.488794 where: bonds (distance) C4'-P energy: -53.393 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -68.393 flat angles P-C4'-P energy: -41.163 tors. eta vs tors. theta energy: -74.704 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: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -964.031001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.031001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.031001 (E_RNA) where: Base-Base interactions energy: -633.000 where: short stacking energy: -303.621 Base-Backbone interact. energy: -1.466 local terms energy: -329.565024 where: bonds (distance) C4'-P energy: -59.901 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -71.375 flat angles P-C4'-P energy: -45.031 tors. eta vs tors. theta energy: -88.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -874.985364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.985364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.985364 (E_RNA) where: Base-Base interactions energy: -571.436 where: short stacking energy: -272.274 Base-Backbone interact. energy: -0.819 local terms energy: -302.730375 where: bonds (distance) C4'-P energy: -51.820 bonds (distance) P-C4' energy: -51.360 flat angles C4'-P-C4' energy: -71.370 flat angles P-C4'-P energy: -46.313 tors. eta vs tors. theta energy: -81.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -784.843092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.843092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.843092 (E_RNA) where: Base-Base interactions energy: -505.438 where: short stacking energy: -221.001 Base-Backbone interact. energy: -2.385 local terms energy: -277.020060 where: bonds (distance) C4'-P energy: -60.175 bonds (distance) P-C4' energy: -64.267 flat angles C4'-P-C4' energy: -60.046 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: -55.243 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: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -700.625182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.625182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.625182 (E_RNA) where: Base-Base interactions energy: -433.528 where: short stacking energy: -199.574 Base-Backbone interact. energy: -1.222 local terms energy: -265.874819 where: bonds (distance) C4'-P energy: -58.733 bonds (distance) P-C4' energy: -43.415 flat angles C4'-P-C4' energy: -57.146 flat angles P-C4'-P energy: -46.110 tors. eta vs tors. theta energy: -60.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -350.333946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.333946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.333946 (E_RNA) where: Base-Base interactions energy: -160.401 where: short stacking energy: -99.293 Base-Backbone interact. energy: -1.538 local terms energy: -188.394526 where: bonds (distance) C4'-P energy: -53.876 bonds (distance) P-C4' energy: -62.165 flat angles C4'-P-C4' energy: -38.293 flat angles P-C4'-P energy: -37.184 tors. eta vs tors. theta energy: 3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -324.242265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.242265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.242265 (E_RNA) where: Base-Base interactions energy: -129.728 where: short stacking energy: -79.552 Base-Backbone interact. energy: 1.801 local terms energy: -196.315958 where: bonds (distance) C4'-P energy: -57.818 bonds (distance) P-C4' energy: -49.476 flat angles C4'-P-C4' energy: -46.949 flat angles P-C4'-P energy: -41.737 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -264.325651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.325651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.325651 (E_RNA) where: Base-Base interactions energy: -90.764 where: short stacking energy: -74.205 Base-Backbone interact. energy: -0.314 local terms energy: -173.247910 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -49.199 flat angles C4'-P-C4' energy: -57.095 flat angles P-C4'-P energy: -12.048 tors. eta vs tors. theta energy: 9.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1076.959962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.959962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.959962 (E_RNA) where: Base-Base interactions energy: -756.906 where: short stacking energy: -339.007 Base-Backbone interact. energy: -1.838 local terms energy: -318.215454 where: bonds (distance) C4'-P energy: -55.392 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -67.341 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -87.943 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: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1046.651860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.651860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.651860 (E_RNA) where: Base-Base interactions energy: -713.611 where: short stacking energy: -308.069 Base-Backbone interact. energy: -0.523 local terms energy: -332.517855 where: bonds (distance) C4'-P energy: -68.023 bonds (distance) P-C4' energy: -67.235 flat angles C4'-P-C4' energy: -73.632 flat angles P-C4'-P energy: -44.595 tors. eta vs tors. theta energy: -79.032 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: 2 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -970.505161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.505161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.505161 (E_RNA) where: Base-Base interactions energy: -649.954 where: short stacking energy: -296.772 Base-Backbone interact. energy: -1.243 local terms energy: -319.307480 where: bonds (distance) C4'-P energy: -61.205 bonds (distance) P-C4' energy: -63.964 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -43.177 tors. eta vs tors. theta energy: -78.396 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: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -964.702410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.702410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.702410 (E_RNA) where: Base-Base interactions energy: -656.417 where: short stacking energy: -287.257 Base-Backbone interact. energy: -2.320 local terms energy: -305.965462 where: bonds (distance) C4'-P energy: -62.008 bonds (distance) P-C4' energy: -55.344 flat angles C4'-P-C4' energy: -62.270 flat angles P-C4'-P energy: -36.758 tors. eta vs tors. theta energy: -89.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -844.940239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.940239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.940239 (E_RNA) where: Base-Base interactions energy: -540.478 where: short stacking energy: -229.309 Base-Backbone interact. energy: 2.554 local terms energy: -307.016102 where: bonds (distance) C4'-P energy: -67.282 bonds (distance) P-C4' energy: -56.140 flat angles C4'-P-C4' energy: -68.788 flat angles P-C4'-P energy: -49.731 tors. eta vs tors. theta energy: -65.076 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: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -784.866814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.866814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.866814 (E_RNA) where: Base-Base interactions energy: -510.107 where: short stacking energy: -245.603 Base-Backbone interact. energy: -0.829 local terms energy: -273.930751 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -54.689 flat angles P-C4'-P energy: -38.141 tors. eta vs tors. theta energy: -55.229 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: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -700.402378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.402378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.402378 (E_RNA) where: Base-Base interactions energy: -442.779 where: short stacking energy: -206.802 Base-Backbone interact. energy: -0.663 local terms energy: -256.960152 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -55.131 flat angles C4'-P-C4' energy: -52.908 flat angles P-C4'-P energy: -36.779 tors. eta vs tors. theta energy: -55.805 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: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -323.239500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.239500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.239500 (E_RNA) where: Base-Base interactions energy: -125.707 where: short stacking energy: -84.727 Base-Backbone interact. energy: 0.705 local terms energy: -198.238131 where: bonds (distance) C4'-P energy: -61.076 bonds (distance) P-C4' energy: -61.540 flat angles C4'-P-C4' energy: -46.146 flat angles P-C4'-P energy: -24.268 tors. eta vs tors. theta energy: -5.208 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: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -346.638422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.638422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.638422 (E_RNA) where: Base-Base interactions energy: -148.170 where: short stacking energy: -113.490 Base-Backbone interact. energy: 0.485 local terms energy: -198.953965 where: bonds (distance) C4'-P energy: -58.461 bonds (distance) P-C4' energy: -57.475 flat angles C4'-P-C4' energy: -43.006 flat angles P-C4'-P energy: -34.645 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -272.944406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.944406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.944406 (E_RNA) where: Base-Base interactions energy: -99.773 where: short stacking energy: -83.833 Base-Backbone interact. energy: -0.316 local terms energy: -172.855405 where: bonds (distance) C4'-P energy: -52.560 bonds (distance) P-C4' energy: -54.305 flat angles C4'-P-C4' energy: -48.357 flat angles P-C4'-P energy: -18.122 tors. eta vs tors. theta energy: 0.489 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: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1056.136920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.136920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.136920 (E_RNA) where: Base-Base interactions energy: -720.941 where: short stacking energy: -314.477 Base-Backbone interact. energy: -0.803 local terms energy: -334.393617 where: bonds (distance) C4'-P energy: -59.149 bonds (distance) P-C4' energy: -54.437 flat angles C4'-P-C4' energy: -71.851 flat angles P-C4'-P energy: -51.095 tors. eta vs tors. theta energy: -97.862 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: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -984.263110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.263110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.263110 (E_RNA) where: Base-Base interactions energy: -658.863 where: short stacking energy: -289.795 Base-Backbone interact. energy: -0.804 local terms energy: -324.596798 where: bonds (distance) C4'-P energy: -65.316 bonds (distance) P-C4' energy: -66.107 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -39.799 tors. eta vs tors. theta energy: -86.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1003.317094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.317094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.317094 (E_RNA) where: Base-Base interactions energy: -696.453 where: short stacking energy: -297.159 Base-Backbone interact. energy: -1.590 local terms energy: -305.273555 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -64.985 flat angles C4'-P-C4' energy: -67.652 flat angles P-C4'-P energy: -36.210 tors. eta vs tors. theta energy: -79.015 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: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -996.669523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.669523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.669523 (E_RNA) where: Base-Base interactions energy: -658.409 where: short stacking energy: -324.161 Base-Backbone interact. energy: -0.674 local terms energy: -337.587202 where: bonds (distance) C4'-P energy: -56.008 bonds (distance) P-C4' energy: -56.584 flat angles C4'-P-C4' energy: -76.959 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: -101.837 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: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -868.369212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.369212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.369212 (E_RNA) where: Base-Base interactions energy: -575.039 where: short stacking energy: -251.430 Base-Backbone interact. energy: -0.945 local terms energy: -292.385104 where: bonds (distance) C4'-P energy: -61.919 bonds (distance) P-C4' energy: -58.862 flat angles C4'-P-C4' energy: -57.779 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -71.324 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: 401 Temperature: 1.150000 Total energy: -758.510666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.510666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.510666 (E_RNA) where: Base-Base interactions energy: -497.456 where: short stacking energy: -213.552 Base-Backbone interact. energy: -1.330 local terms energy: -259.724999 where: bonds (distance) C4'-P energy: -61.437 bonds (distance) P-C4' energy: -58.930 flat angles C4'-P-C4' energy: -59.677 flat angles P-C4'-P energy: -32.435 tors. eta vs tors. theta energy: -47.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -661.763012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.763012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.763012 (E_RNA) where: Base-Base interactions energy: -423.897 where: short stacking energy: -180.021 Base-Backbone interact. energy: -1.362 local terms energy: -236.504054 where: bonds (distance) C4'-P energy: -65.519 bonds (distance) P-C4' energy: -55.343 flat angles C4'-P-C4' energy: -50.817 flat angles P-C4'-P energy: -30.023 tors. eta vs tors. theta energy: -34.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -384.139856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.139856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.139856 (E_RNA) where: Base-Base interactions energy: -157.942 where: short stacking energy: -120.393 Base-Backbone interact. energy: 0.101 local terms energy: -226.298455 where: bonds (distance) C4'-P energy: -59.480 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -52.270 flat angles P-C4'-P energy: -36.559 tors. eta vs tors. theta energy: -11.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -319.402763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.402763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.402763 (E_RNA) where: Base-Base interactions energy: -132.334 where: short stacking energy: -96.418 Base-Backbone interact. energy: -0.577 local terms energy: -186.491951 where: bonds (distance) C4'-P energy: -45.511 bonds (distance) P-C4' energy: -58.481 flat angles C4'-P-C4' energy: -45.658 flat angles P-C4'-P energy: -39.843 tors. eta vs tors. theta energy: 3.001 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: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -295.940328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.940328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.940328 (E_RNA) where: Base-Base interactions energy: -128.393 where: short stacking energy: -88.803 Base-Backbone interact. energy: 1.708 local terms energy: -169.255402 where: bonds (distance) C4'-P energy: -46.904 bonds (distance) P-C4' energy: -53.708 flat angles C4'-P-C4' energy: -40.658 flat angles P-C4'-P energy: -30.478 tors. eta vs tors. theta energy: 2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1081.426030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.426030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.426030 (E_RNA) where: Base-Base interactions energy: -733.986 where: short stacking energy: -328.280 Base-Backbone interact. energy: -1.140 local terms energy: -346.299935 where: bonds (distance) C4'-P energy: -60.857 bonds (distance) P-C4' energy: -68.478 flat angles C4'-P-C4' energy: -72.305 flat angles P-C4'-P energy: -45.263 tors. eta vs tors. theta energy: -99.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1000.129792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.129792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.129792 (E_RNA) where: Base-Base interactions energy: -673.510 where: short stacking energy: -290.555 Base-Backbone interact. energy: -1.244 local terms energy: -325.376130 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -65.718 flat angles P-C4'-P energy: -52.766 tors. eta vs tors. theta energy: -80.418 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: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1015.444087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.444087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.444087 (E_RNA) where: Base-Base interactions energy: -677.256 where: short stacking energy: -321.226 Base-Backbone interact. energy: -0.561 local terms energy: -337.627132 where: bonds (distance) C4'-P energy: -63.202 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -70.682 flat angles P-C4'-P energy: -51.151 tors. eta vs tors. theta energy: -91.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -950.523991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.523991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.523991 (E_RNA) where: Base-Base interactions energy: -656.119 where: short stacking energy: -277.642 Base-Backbone interact. energy: -0.967 local terms energy: -293.438106 where: bonds (distance) C4'-P energy: -57.322 bonds (distance) P-C4' energy: -58.078 flat angles C4'-P-C4' energy: -64.762 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -69.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -891.884532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.884532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.884532 (E_RNA) where: Base-Base interactions energy: -577.639 where: short stacking energy: -272.666 Base-Backbone interact. energy: -0.684 local terms energy: -313.561502 where: bonds (distance) C4'-P energy: -52.449 bonds (distance) P-C4' energy: -63.343 flat angles C4'-P-C4' energy: -65.379 flat angles P-C4'-P energy: -50.838 tors. eta vs tors. theta energy: -81.553 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: 402 Temperature: 1.150000 Total energy: -810.426202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.426202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.426202 (E_RNA) where: Base-Base interactions energy: -519.060 where: short stacking energy: -233.623 Base-Backbone interact. energy: -2.062 local terms energy: -289.305130 where: bonds (distance) C4'-P energy: -51.506 bonds (distance) P-C4' energy: -58.981 flat angles C4'-P-C4' energy: -70.344 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: -60.419 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: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -686.706302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.706302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.706302 (E_RNA) where: Base-Base interactions energy: -456.472 where: short stacking energy: -190.349 Base-Backbone interact. energy: 0.165 local terms energy: -230.399110 where: bonds (distance) C4'-P energy: -44.962 bonds (distance) P-C4' energy: -46.501 flat angles C4'-P-C4' energy: -47.971 flat angles P-C4'-P energy: -32.795 tors. eta vs tors. theta energy: -58.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -374.157664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.157664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.157664 (E_RNA) where: Base-Base interactions energy: -161.901 where: short stacking energy: -123.321 Base-Backbone interact. energy: -1.636 local terms energy: -210.620507 where: bonds (distance) C4'-P energy: -55.271 bonds (distance) P-C4' energy: -46.520 flat angles C4'-P-C4' energy: -49.139 flat angles P-C4'-P energy: -39.178 tors. eta vs tors. theta energy: -20.513 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: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -296.648734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.648734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.648734 (E_RNA) where: Base-Base interactions energy: -108.089 where: short stacking energy: -78.488 Base-Backbone interact. energy: 5.550 local terms energy: -194.109048 where: bonds (distance) C4'-P energy: -55.365 bonds (distance) P-C4' energy: -60.549 flat angles C4'-P-C4' energy: -47.685 flat angles P-C4'-P energy: -30.590 tors. eta vs tors. theta energy: 0.080 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: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -274.272288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.272288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.272288 (E_RNA) where: Base-Base interactions energy: -90.374 where: short stacking energy: -68.229 Base-Backbone interact. energy: -2.101 local terms energy: -181.797180 where: bonds (distance) C4'-P energy: -56.764 bonds (distance) P-C4' energy: -62.068 flat angles C4'-P-C4' energy: -49.987 flat angles P-C4'-P energy: -23.684 tors. eta vs tors. theta energy: 10.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1076.664535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.664535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.664535 (E_RNA) where: Base-Base interactions energy: -728.513 where: short stacking energy: -320.006 Base-Backbone interact. energy: -1.050 local terms energy: -347.101612 where: bonds (distance) C4'-P energy: -66.072 bonds (distance) P-C4' energy: -65.100 flat angles C4'-P-C4' energy: -65.191 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -94.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1021.955708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.955708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.955708 (E_RNA) where: Base-Base interactions energy: -693.023 where: short stacking energy: -296.190 Base-Backbone interact. energy: -1.534 local terms energy: -327.399087 where: bonds (distance) C4'-P energy: -69.765 bonds (distance) P-C4' energy: -66.082 flat angles C4'-P-C4' energy: -67.691 flat angles P-C4'-P energy: -39.330 tors. eta vs tors. theta energy: -84.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -986.414958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.414958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.414958 (E_RNA) where: Base-Base interactions energy: -649.099 where: short stacking energy: -310.835 Base-Backbone interact. energy: -2.155 local terms energy: -335.161178 where: bonds (distance) C4'-P energy: -63.820 bonds (distance) P-C4' energy: -60.454 flat angles C4'-P-C4' energy: -68.533 flat angles P-C4'-P energy: -51.078 tors. eta vs tors. theta energy: -91.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -983.293467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.293467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.293467 (E_RNA) where: Base-Base interactions energy: -666.966 where: short stacking energy: -285.518 Base-Backbone interact. energy: -1.682 local terms energy: -314.645883 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -58.780 flat angles C4'-P-C4' energy: -63.054 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -88.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -849.047335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.047335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.047335 (E_RNA) where: Base-Base interactions energy: -538.818 where: short stacking energy: -261.774 Base-Backbone interact. energy: -0.673 local terms energy: -309.556483 where: bonds (distance) C4'-P energy: -53.101 bonds (distance) P-C4' energy: -61.951 flat angles C4'-P-C4' energy: -65.345 flat angles P-C4'-P energy: -47.262 tors. eta vs tors. theta energy: -81.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -696.883092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.883092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.883092 (E_RNA) where: Base-Base interactions energy: -441.516 where: short stacking energy: -215.748 Base-Backbone interact. energy: -0.843 local terms energy: -254.524074 where: bonds (distance) C4'-P energy: -50.012 bonds (distance) P-C4' energy: -46.171 flat angles C4'-P-C4' energy: -62.045 flat angles P-C4'-P energy: -40.640 tors. eta vs tors. theta energy: -55.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -739.578720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.578720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.578720 (E_RNA) where: Base-Base interactions energy: -494.383 where: short stacking energy: -222.481 Base-Backbone interact. energy: -0.862 local terms energy: -244.333909 where: bonds (distance) C4'-P energy: -30.987 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -53.909 flat angles P-C4'-P energy: -42.844 tors. eta vs tors. theta energy: -55.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -372.584163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.584163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.584163 (E_RNA) where: Base-Base interactions energy: -146.270 where: short stacking energy: -105.775 Base-Backbone interact. energy: -0.553 local terms energy: -225.761161 where: bonds (distance) C4'-P energy: -50.117 bonds (distance) P-C4' energy: -63.937 flat angles C4'-P-C4' energy: -55.214 flat angles P-C4'-P energy: -38.094 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: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -297.970699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.970699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.970699 (E_RNA) where: Base-Base interactions energy: -110.612 where: short stacking energy: -84.065 Base-Backbone interact. energy: -0.720 local terms energy: -186.638429 where: bonds (distance) C4'-P energy: -49.608 bonds (distance) P-C4' energy: -65.615 flat angles C4'-P-C4' energy: -44.596 flat angles P-C4'-P energy: -33.832 tors. eta vs tors. theta energy: 7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -276.610602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.610602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.610602 (E_RNA) where: Base-Base interactions energy: -107.334 where: short stacking energy: -76.089 Base-Backbone interact. energy: -0.350 local terms energy: -168.926537 where: bonds (distance) C4'-P energy: -56.623 bonds (distance) P-C4' energy: -42.131 flat angles C4'-P-C4' energy: -50.056 flat angles P-C4'-P energy: -25.940 tors. eta vs tors. theta energy: 5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1097.775321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.775321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.775321 (E_RNA) where: Base-Base interactions energy: -735.797 where: short stacking energy: -313.358 Base-Backbone interact. energy: -1.378 local terms energy: -360.600280 where: bonds (distance) C4'-P energy: -67.506 bonds (distance) P-C4' energy: -64.523 flat angles C4'-P-C4' energy: -73.068 flat angles P-C4'-P energy: -51.899 tors. eta vs tors. theta energy: -103.604 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: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -997.068550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.068550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.068550 (E_RNA) where: Base-Base interactions energy: -678.502 where: short stacking energy: -291.789 Base-Backbone interact. energy: 0.409 local terms energy: -318.975011 where: bonds (distance) C4'-P energy: -59.027 bonds (distance) P-C4' energy: -62.866 flat angles C4'-P-C4' energy: -75.108 flat angles P-C4'-P energy: -38.985 tors. eta vs tors. theta energy: -82.989 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: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -994.303610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.303610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.303610 (E_RNA) where: Base-Base interactions energy: -689.407 where: short stacking energy: -293.944 Base-Backbone interact. energy: -0.845 local terms energy: -304.051993 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -51.823 flat angles C4'-P-C4' energy: -75.812 flat angles P-C4'-P energy: -40.961 tors. eta vs tors. theta energy: -79.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -976.219363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.219363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.219363 (E_RNA) where: Base-Base interactions energy: -651.505 where: short stacking energy: -293.269 Base-Backbone interact. energy: -1.381 local terms energy: -323.333264 where: bonds (distance) C4'-P energy: -55.447 bonds (distance) P-C4' energy: -62.382 flat angles C4'-P-C4' energy: -67.859 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -86.524 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: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -852.945263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.945263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.945263 (E_RNA) where: Base-Base interactions energy: -550.951 where: short stacking energy: -258.327 Base-Backbone interact. energy: 1.621 local terms energy: -303.615030 where: bonds (distance) C4'-P energy: -49.868 bonds (distance) P-C4' energy: -62.251 flat angles C4'-P-C4' energy: -64.706 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -74.841 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: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -692.072871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.072871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.072871 (E_RNA) where: Base-Base interactions energy: -422.013 where: short stacking energy: -195.718 Base-Backbone interact. energy: -1.547 local terms energy: -268.512869 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -64.989 flat angles C4'-P-C4' energy: -65.679 flat angles P-C4'-P energy: -29.973 tors. eta vs tors. theta energy: -48.370 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: 1 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -742.059844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.059844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.059844 (E_RNA) where: Base-Base interactions energy: -496.935 where: short stacking energy: -215.333 Base-Backbone interact. energy: 4.787 local terms energy: -249.912055 where: bonds (distance) C4'-P energy: -50.954 bonds (distance) P-C4' energy: -62.335 flat angles C4'-P-C4' energy: -57.651 flat angles P-C4'-P energy: -31.649 tors. eta vs tors. theta energy: -47.323 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: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -374.183144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.183144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.183144 (E_RNA) where: Base-Base interactions energy: -155.291 where: short stacking energy: -106.444 Base-Backbone interact. energy: -0.398 local terms energy: -218.494706 where: bonds (distance) C4'-P energy: -64.686 bonds (distance) P-C4' energy: -54.172 flat angles C4'-P-C4' energy: -46.865 flat angles P-C4'-P energy: -31.621 tors. eta vs tors. theta energy: -21.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -268.946455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.946455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.946455 (E_RNA) where: Base-Base interactions energy: -102.600 where: short stacking energy: -90.190 Base-Backbone interact. energy: 1.559 local terms energy: -167.905697 where: bonds (distance) C4'-P energy: -45.431 bonds (distance) P-C4' energy: -44.915 flat angles C4'-P-C4' energy: -45.478 flat angles P-C4'-P energy: -34.820 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: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -284.923932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.923932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.923932 (E_RNA) where: Base-Base interactions energy: -106.727 where: short stacking energy: -91.083 Base-Backbone interact. energy: -0.563 local terms energy: -177.633485 where: bonds (distance) C4'-P energy: -47.364 bonds (distance) P-C4' energy: -55.827 flat angles C4'-P-C4' energy: -51.647 flat angles P-C4'-P energy: -26.395 tors. eta vs tors. theta energy: 3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1100.781126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.781126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.781126 (E_RNA) where: Base-Base interactions energy: -734.830 where: short stacking energy: -328.285 Base-Backbone interact. energy: -2.144 local terms energy: -363.807115 where: bonds (distance) C4'-P energy: -68.508 bonds (distance) P-C4' energy: -67.535 flat angles C4'-P-C4' energy: -71.553 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: -98.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1004.370933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.370933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.370933 (E_RNA) where: Base-Base interactions energy: -672.522 where: short stacking energy: -304.609 Base-Backbone interact. energy: -1.483 local terms energy: -330.365705 where: bonds (distance) C4'-P energy: -62.593 bonds (distance) P-C4' energy: -61.839 flat angles C4'-P-C4' energy: -66.406 flat angles P-C4'-P energy: -51.857 tors. eta vs tors. theta energy: -87.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -969.372987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.372987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.372987 (E_RNA) where: Base-Base interactions energy: -650.543 where: short stacking energy: -296.707 Base-Backbone interact. energy: -0.954 local terms energy: -317.875694 where: bonds (distance) C4'-P energy: -54.284 bonds (distance) P-C4' energy: -61.629 flat angles C4'-P-C4' energy: -72.092 flat angles P-C4'-P energy: -45.238 tors. eta vs tors. theta energy: -84.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -967.946073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.946073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.946073 (E_RNA) where: Base-Base interactions energy: -658.284 where: short stacking energy: -291.440 Base-Backbone interact. energy: -2.319 local terms energy: -307.342567 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -52.317 flat angles C4'-P-C4' energy: -68.424 flat angles P-C4'-P energy: -49.666 tors. eta vs tors. theta energy: -79.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -848.996076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.996076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.996076 (E_RNA) where: Base-Base interactions energy: -552.320 where: short stacking energy: -269.850 Base-Backbone interact. energy: -0.432 local terms energy: -296.243925 where: bonds (distance) C4'-P energy: -57.734 bonds (distance) P-C4' energy: -56.570 flat angles C4'-P-C4' energy: -63.009 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -75.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -760.689314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.689314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.689314 (E_RNA) where: Base-Base interactions energy: -476.782 where: short stacking energy: -213.706 Base-Backbone interact. energy: -0.341 local terms energy: -283.566665 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -66.701 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -49.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -673.075828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.075828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.075828 (E_RNA) where: Base-Base interactions energy: -429.294 where: short stacking energy: -207.816 Base-Backbone interact. energy: -0.634 local terms energy: -243.147962 where: bonds (distance) C4'-P energy: -62.096 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -48.665 flat angles P-C4'-P energy: -28.228 tors. eta vs tors. theta energy: -40.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -374.897418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.897418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.897418 (E_RNA) where: Base-Base interactions energy: -161.638 where: short stacking energy: -114.987 Base-Backbone interact. energy: -1.149 local terms energy: -212.110926 where: bonds (distance) C4'-P energy: -59.263 bonds (distance) P-C4' energy: -58.808 flat angles C4'-P-C4' energy: -53.438 flat angles P-C4'-P energy: -29.665 tors. eta vs tors. theta energy: -10.937 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: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -280.732627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.732627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.732627 (E_RNA) where: Base-Base interactions energy: -91.292 where: short stacking energy: -85.332 Base-Backbone interact. energy: -0.472 local terms energy: -188.968910 where: bonds (distance) C4'-P energy: -51.250 bonds (distance) P-C4' energy: -53.391 flat angles C4'-P-C4' energy: -62.984 flat angles P-C4'-P energy: -20.646 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -268.734745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.734745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.734745 (E_RNA) where: Base-Base interactions energy: -83.122 where: short stacking energy: -65.207 Base-Backbone interact. energy: -0.676 local terms energy: -184.936661 where: bonds (distance) C4'-P energy: -61.513 bonds (distance) P-C4' energy: -59.390 flat angles C4'-P-C4' energy: -50.501 flat angles P-C4'-P energy: -23.786 tors. eta vs tors. theta energy: 10.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1078.310042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.310042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.310042 (E_RNA) where: Base-Base interactions energy: -730.915 where: short stacking energy: -334.410 Base-Backbone interact. energy: -0.515 local terms energy: -346.880041 where: bonds (distance) C4'-P energy: -66.178 bonds (distance) P-C4' energy: -65.390 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -43.804 tors. eta vs tors. theta energy: -98.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1029.040775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.040775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.040775 (E_RNA) where: Base-Base interactions energy: -702.372 where: short stacking energy: -316.448 Base-Backbone interact. energy: 0.917 local terms energy: -327.586274 where: bonds (distance) C4'-P energy: -58.259 bonds (distance) P-C4' energy: -63.295 flat angles C4'-P-C4' energy: -71.149 flat angles P-C4'-P energy: -43.568 tors. eta vs tors. theta energy: -91.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1003.167254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.167254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.167254 (E_RNA) where: Base-Base interactions energy: -664.000 where: short stacking energy: -292.105 Base-Backbone interact. energy: -2.030 local terms energy: -337.137813 where: bonds (distance) C4'-P energy: -55.082 bonds (distance) P-C4' energy: -58.138 flat angles C4'-P-C4' energy: -75.452 flat angles P-C4'-P energy: -53.095 tors. eta vs tors. theta energy: -95.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -954.492978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.492978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.492978 (E_RNA) where: Base-Base interactions energy: -656.195 where: short stacking energy: -285.088 Base-Backbone interact. energy: -3.193 local terms energy: -295.105426 where: bonds (distance) C4'-P energy: -61.528 bonds (distance) P-C4' energy: -47.621 flat angles C4'-P-C4' energy: -65.106 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: -73.222 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: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -898.780396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.780396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.780396 (E_RNA) where: Base-Base interactions energy: -605.299 where: short stacking energy: -268.503 Base-Backbone interact. energy: -1.871 local terms energy: -291.610420 where: bonds (distance) C4'-P energy: -54.977 bonds (distance) P-C4' energy: -62.382 flat angles C4'-P-C4' energy: -65.973 flat angles P-C4'-P energy: -44.575 tors. eta vs tors. theta energy: -63.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -859.285626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.285626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.285626 (E_RNA) where: Base-Base interactions energy: -558.727 where: short stacking energy: -270.428 Base-Backbone interact. energy: -1.552 local terms energy: -299.006457 where: bonds (distance) C4'-P energy: -52.079 bonds (distance) P-C4' energy: -56.619 flat angles C4'-P-C4' energy: -63.057 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -87.175 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: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -675.124417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.124417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.124417 (E_RNA) where: Base-Base interactions energy: -436.622 where: short stacking energy: -204.793 Base-Backbone interact. energy: -0.427 local terms energy: -238.075389 where: bonds (distance) C4'-P energy: -47.833 bonds (distance) P-C4' energy: -58.766 flat angles C4'-P-C4' energy: -50.576 flat angles P-C4'-P energy: -29.817 tors. eta vs tors. theta energy: -51.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -328.599673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.599673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.599673 (E_RNA) where: Base-Base interactions energy: -115.897 where: short stacking energy: -87.819 Base-Backbone interact. energy: 0.240 local terms energy: -212.942660 where: bonds (distance) C4'-P energy: -64.593 bonds (distance) P-C4' energy: -61.997 flat angles C4'-P-C4' energy: -51.836 flat angles P-C4'-P energy: -34.704 tors. eta vs tors. theta energy: 0.188 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: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -299.618216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.618216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.618216 (E_RNA) where: Base-Base interactions energy: -124.998 where: short stacking energy: -92.725 Base-Backbone interact. energy: -1.480 local terms energy: -173.139786 where: bonds (distance) C4'-P energy: -59.473 bonds (distance) P-C4' energy: -43.878 flat angles C4'-P-C4' energy: -47.894 flat angles P-C4'-P energy: -34.724 tors. eta vs tors. theta energy: 12.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -267.255705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.255705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.255705 (E_RNA) where: Base-Base interactions energy: -100.498 where: short stacking energy: -77.728 Base-Backbone interact. energy: -0.040 local terms energy: -166.718185 where: bonds (distance) C4'-P energy: -49.404 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -54.696 flat angles P-C4'-P energy: -19.704 tors. eta vs tors. theta energy: 15.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1072.341118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.341118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.341118 (E_RNA) where: Base-Base interactions energy: -732.547 where: short stacking energy: -325.149 Base-Backbone interact. energy: -1.345 local terms energy: -338.449767 where: bonds (distance) C4'-P energy: -60.865 bonds (distance) P-C4' energy: -54.162 flat angles C4'-P-C4' energy: -73.620 flat angles P-C4'-P energy: -49.504 tors. eta vs tors. theta energy: -100.300 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: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1019.317574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.317574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.317574 (E_RNA) where: Base-Base interactions energy: -683.759 where: short stacking energy: -310.184 Base-Backbone interact. energy: -1.954 local terms energy: -333.604373 where: bonds (distance) C4'-P energy: -58.453 bonds (distance) P-C4' energy: -65.609 flat angles C4'-P-C4' energy: -73.537 flat angles P-C4'-P energy: -46.998 tors. eta vs tors. theta energy: -89.008 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: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1027.864650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.864650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.864650 (E_RNA) where: Base-Base interactions energy: -695.284 where: short stacking energy: -301.227 Base-Backbone interact. energy: 0.741 local terms energy: -333.321512 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -74.342 flat angles C4'-P-C4' energy: -63.354 flat angles P-C4'-P energy: -52.970 tors. eta vs tors. theta energy: -82.392 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: 407 Temperature: 1.050000 Total energy: -953.614063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.614063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.614063 (E_RNA) where: Base-Base interactions energy: -640.407 where: short stacking energy: -273.253 Base-Backbone interact. energy: -0.543 local terms energy: -312.664353 where: bonds (distance) C4'-P energy: -61.520 bonds (distance) P-C4' energy: -58.151 flat angles C4'-P-C4' energy: -71.218 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -76.684 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: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -878.731389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.731389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.731389 (E_RNA) where: Base-Base interactions energy: -593.778 where: short stacking energy: -261.413 Base-Backbone interact. energy: 0.635 local terms energy: -285.588421 where: bonds (distance) C4'-P energy: -47.874 bonds (distance) P-C4' energy: -67.682 flat angles C4'-P-C4' energy: -59.876 flat angles P-C4'-P energy: -43.966 tors. eta vs tors. theta energy: -66.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -802.708690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.708690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.708690 (E_RNA) where: Base-Base interactions energy: -539.537 where: short stacking energy: -249.924 Base-Backbone interact. energy: -0.774 local terms energy: -262.396977 where: bonds (distance) C4'-P energy: -63.222 bonds (distance) P-C4' energy: -53.445 flat angles C4'-P-C4' energy: -44.776 flat angles P-C4'-P energy: -33.892 tors. eta vs tors. theta energy: -67.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -633.244065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.244065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.244065 (E_RNA) where: Base-Base interactions energy: -403.287 where: short stacking energy: -175.167 Base-Backbone interact. energy: -1.630 local terms energy: -228.327318 where: bonds (distance) C4'-P energy: -42.048 bonds (distance) P-C4' energy: -59.392 flat angles C4'-P-C4' energy: -52.939 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -33.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -320.118859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.118859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.118859 (E_RNA) where: Base-Base interactions energy: -128.709 where: short stacking energy: -99.674 Base-Backbone interact. energy: -1.000 local terms energy: -190.410411 where: bonds (distance) C4'-P energy: -53.515 bonds (distance) P-C4' energy: -41.440 flat angles C4'-P-C4' energy: -55.695 flat angles P-C4'-P energy: -32.429 tors. eta vs tors. theta energy: -7.330 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: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -276.331727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.331727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.331727 (E_RNA) where: Base-Base interactions energy: -86.336 where: short stacking energy: -80.665 Base-Backbone interact. energy: 2.425 local terms energy: -192.420755 where: bonds (distance) C4'-P energy: -60.078 bonds (distance) P-C4' energy: -51.850 flat angles C4'-P-C4' energy: -52.898 flat angles P-C4'-P energy: -34.910 tors. eta vs tors. theta energy: 7.315 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: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -267.648357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.648357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.648357 (E_RNA) where: Base-Base interactions energy: -86.223 where: short stacking energy: -56.980 Base-Backbone interact. energy: -0.680 local terms energy: -180.745982 where: bonds (distance) C4'-P energy: -58.300 bonds (distance) P-C4' energy: -69.295 flat angles C4'-P-C4' energy: -46.817 flat angles P-C4'-P energy: -14.803 tors. eta vs tors. theta energy: 8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1070.605837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.605837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.605837 (E_RNA) where: Base-Base interactions energy: -725.167 where: short stacking energy: -341.622 Base-Backbone interact. energy: 1.232 local terms energy: -346.670961 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -56.884 flat angles C4'-P-C4' energy: -76.178 flat angles P-C4'-P energy: -53.168 tors. eta vs tors. theta energy: -98.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1023.279392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.279392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.279392 (E_RNA) where: Base-Base interactions energy: -695.169 where: short stacking energy: -306.497 Base-Backbone interact. energy: 1.237 local terms energy: -329.348290 where: bonds (distance) C4'-P energy: -58.338 bonds (distance) P-C4' energy: -69.139 flat angles C4'-P-C4' energy: -76.668 flat angles P-C4'-P energy: -44.890 tors. eta vs tors. theta energy: -80.313 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: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1014.339457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.339457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.339457 (E_RNA) where: Base-Base interactions energy: -686.166 where: short stacking energy: -289.083 Base-Backbone interact. energy: -2.128 local terms energy: -326.044853 where: bonds (distance) C4'-P energy: -49.717 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -64.735 flat angles P-C4'-P energy: -57.332 tors. eta vs tors. theta energy: -84.719 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: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -975.676762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.676762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.676762 (E_RNA) where: Base-Base interactions energy: -653.974 where: short stacking energy: -296.851 Base-Backbone interact. energy: 1.463 local terms energy: -323.165864 where: bonds (distance) C4'-P energy: -60.968 bonds (distance) P-C4' energy: -67.175 flat angles C4'-P-C4' energy: -63.993 flat angles P-C4'-P energy: -43.064 tors. eta vs tors. theta energy: -87.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -800.402122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.402122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.402122 (E_RNA) where: Base-Base interactions energy: -521.145 where: short stacking energy: -269.742 Base-Backbone interact. energy: 1.580 local terms energy: -280.837507 where: bonds (distance) C4'-P energy: -57.263 bonds (distance) P-C4' energy: -58.941 flat angles C4'-P-C4' energy: -51.566 flat angles P-C4'-P energy: -40.359 tors. eta vs tors. theta energy: -72.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -855.006834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.006834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.006834 (E_RNA) where: Base-Base interactions energy: -558.442 where: short stacking energy: -259.016 Base-Backbone interact. energy: -0.944 local terms energy: -295.620558 where: bonds (distance) C4'-P energy: -60.088 bonds (distance) P-C4' energy: -54.565 flat angles C4'-P-C4' energy: -66.610 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -72.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -630.428031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.428031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.428031 (E_RNA) where: Base-Base interactions energy: -393.686 where: short stacking energy: -193.977 Base-Backbone interact. energy: -1.981 local terms energy: -234.761419 where: bonds (distance) C4'-P energy: -48.431 bonds (distance) P-C4' energy: -57.719 flat angles C4'-P-C4' energy: -52.576 flat angles P-C4'-P energy: -37.038 tors. eta vs tors. theta energy: -38.997 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: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -308.902970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.902970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.902970 (E_RNA) where: Base-Base interactions energy: -121.157 where: short stacking energy: -111.998 Base-Backbone interact. energy: -0.762 local terms energy: -186.983971 where: bonds (distance) C4'-P energy: -59.804 bonds (distance) P-C4' energy: -61.699 flat angles C4'-P-C4' energy: -40.422 flat angles P-C4'-P energy: -17.988 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -332.698558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.698558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.698558 (E_RNA) where: Base-Base interactions energy: -128.402 where: short stacking energy: -111.784 Base-Backbone interact. energy: -0.502 local terms energy: -203.793896 where: bonds (distance) C4'-P energy: -41.451 bonds (distance) P-C4' energy: -60.664 flat angles C4'-P-C4' energy: -47.202 flat angles P-C4'-P energy: -36.909 tors. eta vs tors. theta energy: -17.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -302.256916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.256916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.256916 (E_RNA) where: Base-Base interactions energy: -103.321 where: short stacking energy: -91.095 Base-Backbone interact. energy: -1.000 local terms energy: -197.935866 where: bonds (distance) C4'-P energy: -52.734 bonds (distance) P-C4' energy: -63.120 flat angles C4'-P-C4' energy: -41.674 flat angles P-C4'-P energy: -41.687 tors. eta vs tors. theta energy: 1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1080.091199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.091199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.091199 (E_RNA) where: Base-Base interactions energy: -752.429 where: short stacking energy: -332.816 Base-Backbone interact. energy: -0.629 local terms energy: -327.032945 where: bonds (distance) C4'-P energy: -50.286 bonds (distance) P-C4' energy: -56.779 flat angles C4'-P-C4' energy: -75.289 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -99.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1054.633315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.633315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.633315 (E_RNA) where: Base-Base interactions energy: -735.864 where: short stacking energy: -329.013 Base-Backbone interact. energy: 0.575 local terms energy: -319.345108 where: bonds (distance) C4'-P energy: -57.236 bonds (distance) P-C4' energy: -60.339 flat angles C4'-P-C4' energy: -65.114 flat angles P-C4'-P energy: -44.361 tors. eta vs tors. theta energy: -92.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -982.177494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.177494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.177494 (E_RNA) where: Base-Base interactions energy: -674.723 where: short stacking energy: -285.650 Base-Backbone interact. energy: -1.012 local terms energy: -306.442721 where: bonds (distance) C4'-P energy: -59.643 bonds (distance) P-C4' energy: -56.542 flat angles C4'-P-C4' energy: -67.037 flat angles P-C4'-P energy: -50.773 tors. eta vs tors. theta energy: -72.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -943.004523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.004523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.004523 (E_RNA) where: Base-Base interactions energy: -645.371 where: short stacking energy: -269.108 Base-Backbone interact. energy: -1.992 local terms energy: -295.642282 where: bonds (distance) C4'-P energy: -44.197 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -73.261 flat angles P-C4'-P energy: -38.382 tors. eta vs tors. theta energy: -77.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -832.080594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.080594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.080594 (E_RNA) where: Base-Base interactions energy: -521.066 where: short stacking energy: -256.751 Base-Backbone interact. energy: -1.393 local terms energy: -309.621035 where: bonds (distance) C4'-P energy: -70.402 bonds (distance) P-C4' energy: -60.987 flat angles C4'-P-C4' energy: -63.655 flat angles P-C4'-P energy: -32.833 tors. eta vs tors. theta energy: -81.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -868.143570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.143570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.143570 (E_RNA) where: Base-Base interactions energy: -565.970 where: short stacking energy: -280.469 Base-Backbone interact. energy: -0.299 local terms energy: -301.874714 where: bonds (distance) C4'-P energy: -47.588 bonds (distance) P-C4' energy: -62.730 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -70.521 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: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -652.314059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.314059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.314059 (E_RNA) where: Base-Base interactions energy: -417.055 where: short stacking energy: -202.193 Base-Backbone interact. energy: -1.259 local terms energy: -233.999125 where: bonds (distance) C4'-P energy: -42.794 bonds (distance) P-C4' energy: -50.922 flat angles C4'-P-C4' energy: -56.525 flat angles P-C4'-P energy: -39.084 tors. eta vs tors. theta energy: -44.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -334.484358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.484358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.484358 (E_RNA) where: Base-Base interactions energy: -118.259 where: short stacking energy: -98.654 Base-Backbone interact. energy: 0.139 local terms energy: -216.364190 where: bonds (distance) C4'-P energy: -56.155 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -51.764 flat angles P-C4'-P energy: -26.202 tors. eta vs tors. theta energy: -17.707 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: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -293.411130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.411130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.411130 (E_RNA) where: Base-Base interactions energy: -119.222 where: short stacking energy: -74.033 Base-Backbone interact. energy: 0.054 local terms energy: -174.242577 where: bonds (distance) C4'-P energy: -50.601 bonds (distance) P-C4' energy: -48.213 flat angles C4'-P-C4' energy: -49.542 flat angles P-C4'-P energy: -29.262 tors. eta vs tors. theta energy: 3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -288.550881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.550881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.550881 (E_RNA) where: Base-Base interactions energy: -109.233 where: short stacking energy: -87.757 Base-Backbone interact. energy: -0.002 local terms energy: -179.315234 where: bonds (distance) C4'-P energy: -43.917 bonds (distance) P-C4' energy: -62.026 flat angles C4'-P-C4' energy: -39.104 flat angles P-C4'-P energy: -22.318 tors. eta vs tors. theta energy: -11.951 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: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1063.387140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.387140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.387140 (E_RNA) where: Base-Base interactions energy: -730.504 where: short stacking energy: -320.859 Base-Backbone interact. energy: -2.945 local terms energy: -329.937469 where: bonds (distance) C4'-P energy: -53.188 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -70.206 flat angles P-C4'-P energy: -53.805 tors. eta vs tors. theta energy: -86.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1060.798574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.798574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.798574 (E_RNA) where: Base-Base interactions energy: -723.766 where: short stacking energy: -305.994 Base-Backbone interact. energy: -0.628 local terms energy: -336.405371 where: bonds (distance) C4'-P energy: -63.016 bonds (distance) P-C4' energy: -60.999 flat angles C4'-P-C4' energy: -72.404 flat angles P-C4'-P energy: -48.835 tors. eta vs tors. theta energy: -91.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -992.181798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.181798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.181798 (E_RNA) where: Base-Base interactions energy: -674.680 where: short stacking energy: -287.577 Base-Backbone interact. energy: -1.996 local terms energy: -315.505637 where: bonds (distance) C4'-P energy: -51.628 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -71.665 flat angles P-C4'-P energy: -38.265 tors. eta vs tors. theta energy: -84.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -942.294869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.294869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.294869 (E_RNA) where: Base-Base interactions energy: -624.523 where: short stacking energy: -286.103 Base-Backbone interact. energy: -2.587 local terms energy: -315.184939 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -63.220 flat angles P-C4'-P energy: -46.292 tors. eta vs tors. theta energy: -77.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -833.502464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.502464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.502464 (E_RNA) where: Base-Base interactions energy: -547.008 where: short stacking energy: -246.059 Base-Backbone interact. energy: -0.455 local terms energy: -286.039088 where: bonds (distance) C4'-P energy: -58.400 bonds (distance) P-C4' energy: -61.416 flat angles C4'-P-C4' energy: -69.426 flat angles P-C4'-P energy: -37.192 tors. eta vs tors. theta energy: -59.606 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: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -826.441407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.441407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.441407 (E_RNA) where: Base-Base interactions energy: -536.931 where: short stacking energy: -264.793 Base-Backbone interact. energy: -0.053 local terms energy: -289.457016 where: bonds (distance) C4'-P energy: -51.704 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -78.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -712.899572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.899572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.899572 (E_RNA) where: Base-Base interactions energy: -475.737 where: short stacking energy: -234.815 Base-Backbone interact. energy: 2.347 local terms energy: -239.509873 where: bonds (distance) C4'-P energy: -51.523 bonds (distance) P-C4' energy: -48.346 flat angles C4'-P-C4' energy: -61.054 flat angles P-C4'-P energy: -22.537 tors. eta vs tors. theta energy: -56.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -310.039288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.039288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.039288 (E_RNA) where: Base-Base interactions energy: -127.970 where: short stacking energy: -100.142 Base-Backbone interact. energy: 0.681 local terms energy: -182.751216 where: bonds (distance) C4'-P energy: -48.480 bonds (distance) P-C4' energy: -63.383 flat angles C4'-P-C4' energy: -48.513 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -9.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -306.002921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.002921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.002921 (E_RNA) where: Base-Base interactions energy: -130.810 where: short stacking energy: -103.590 Base-Backbone interact. energy: -0.017 local terms energy: -175.176776 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -38.798 flat angles P-C4'-P energy: -25.061 tors. eta vs tors. theta energy: 1.056 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: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -271.686733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.686733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.686733 (E_RNA) where: Base-Base interactions energy: -100.191 where: short stacking energy: -80.641 Base-Backbone interact. energy: -0.127 local terms energy: -171.367873 where: bonds (distance) C4'-P energy: -55.781 bonds (distance) P-C4' energy: -61.286 flat angles C4'-P-C4' energy: -53.494 flat angles P-C4'-P energy: -9.019 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: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1070.996035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.996035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.996035 (E_RNA) where: Base-Base interactions energy: -729.846 where: short stacking energy: -312.950 Base-Backbone interact. energy: 0.114 local terms energy: -341.263287 where: bonds (distance) C4'-P energy: -64.845 bonds (distance) P-C4' energy: -71.346 flat angles C4'-P-C4' energy: -69.400 flat angles P-C4'-P energy: -49.455 tors. eta vs tors. theta energy: -86.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1051.850981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.850981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.850981 (E_RNA) where: Base-Base interactions energy: -710.750 where: short stacking energy: -310.990 Base-Backbone interact. energy: -1.717 local terms energy: -339.384546 where: bonds (distance) C4'-P energy: -58.299 bonds (distance) P-C4' energy: -66.242 flat angles C4'-P-C4' energy: -74.459 flat angles P-C4'-P energy: -49.787 tors. eta vs tors. theta energy: -90.598 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: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -993.804963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.804963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.804963 (E_RNA) where: Base-Base interactions energy: -665.121 where: short stacking energy: -311.466 Base-Backbone interact. energy: -1.729 local terms energy: -326.954355 where: bonds (distance) C4'-P energy: -55.152 bonds (distance) P-C4' energy: -58.947 flat angles C4'-P-C4' energy: -78.825 flat angles P-C4'-P energy: -46.434 tors. eta vs tors. theta energy: -87.596 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: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -959.638915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.638915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.638915 (E_RNA) where: Base-Base interactions energy: -657.516 where: short stacking energy: -290.992 Base-Backbone interact. energy: 0.028 local terms energy: -302.150491 where: bonds (distance) C4'-P energy: -48.655 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -69.917 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -82.650 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: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -878.576982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.576982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.576982 (E_RNA) where: Base-Base interactions energy: -577.432 where: short stacking energy: -251.693 Base-Backbone interact. energy: -0.569 local terms energy: -300.576705 where: bonds (distance) C4'-P energy: -52.950 bonds (distance) P-C4' energy: -57.529 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -49.743 tors. eta vs tors. theta energy: -78.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -714.223791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.223791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.223791 (E_RNA) where: Base-Base interactions energy: -446.014 where: short stacking energy: -199.957 Base-Backbone interact. energy: 2.932 local terms energy: -271.142077 where: bonds (distance) C4'-P energy: -60.055 bonds (distance) P-C4' energy: -56.396 flat angles C4'-P-C4' energy: -56.777 flat angles P-C4'-P energy: -42.905 tors. eta vs tors. theta energy: -55.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -748.076957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.076957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.076957 (E_RNA) where: Base-Base interactions energy: -483.723 where: short stacking energy: -218.058 Base-Backbone interact. energy: -1.640 local terms energy: -262.713344 where: bonds (distance) C4'-P energy: -34.230 bonds (distance) P-C4' energy: -56.371 flat angles C4'-P-C4' energy: -59.295 flat angles P-C4'-P energy: -52.160 tors. eta vs tors. theta energy: -60.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -309.835344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.835344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.835344 (E_RNA) where: Base-Base interactions energy: -142.134 where: short stacking energy: -91.003 Base-Backbone interact. energy: 0.987 local terms energy: -168.688082 where: bonds (distance) C4'-P energy: -41.068 bonds (distance) P-C4' energy: -58.275 flat angles C4'-P-C4' energy: -49.357 flat angles P-C4'-P energy: -24.195 tors. eta vs tors. theta energy: 4.207 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: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -292.053661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.053661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.053661 (E_RNA) where: Base-Base interactions energy: -104.970 where: short stacking energy: -73.561 Base-Backbone interact. energy: 1.302 local terms energy: -188.385568 where: bonds (distance) C4'-P energy: -50.537 bonds (distance) P-C4' energy: -62.102 flat angles C4'-P-C4' energy: -50.710 flat angles P-C4'-P energy: -30.497 tors. eta vs tors. theta energy: 5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -263.073510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.073510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.073510 (E_RNA) where: Base-Base interactions energy: -90.303 where: short stacking energy: -84.958 Base-Backbone interact. energy: 3.027 local terms energy: -175.798216 where: bonds (distance) C4'-P energy: -47.073 bonds (distance) P-C4' energy: -62.863 flat angles C4'-P-C4' energy: -47.954 flat angles P-C4'-P energy: -23.647 tors. eta vs tors. theta energy: 5.739 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: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1066.456833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.456833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.456833 (E_RNA) where: Base-Base interactions energy: -713.784 where: short stacking energy: -327.997 Base-Backbone interact. energy: 1.812 local terms energy: -354.484288 where: bonds (distance) C4'-P energy: -65.320 bonds (distance) P-C4' energy: -71.830 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -46.191 tors. eta vs tors. theta energy: -98.792 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: 9 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1048.726598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.726598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.726598 (E_RNA) where: Base-Base interactions energy: -725.890 where: short stacking energy: -318.778 Base-Backbone interact. energy: -1.584 local terms energy: -321.252556 where: bonds (distance) C4'-P energy: -50.202 bonds (distance) P-C4' energy: -63.673 flat angles C4'-P-C4' energy: -72.742 flat angles P-C4'-P energy: -49.412 tors. eta vs tors. theta energy: -85.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -961.320832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.320832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.320832 (E_RNA) where: Base-Base interactions energy: -646.892 where: short stacking energy: -291.194 Base-Backbone interact. energy: 1.096 local terms energy: -315.524685 where: bonds (distance) C4'-P energy: -60.227 bonds (distance) P-C4' energy: -68.722 flat angles C4'-P-C4' energy: -64.321 flat angles P-C4'-P energy: -42.848 tors. eta vs tors. theta energy: -79.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -968.725050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.725050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.725050 (E_RNA) where: Base-Base interactions energy: -663.348 where: short stacking energy: -288.767 Base-Backbone interact. energy: -0.894 local terms energy: -304.482505 where: bonds (distance) C4'-P energy: -54.355 bonds (distance) P-C4' energy: -59.506 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -872.759472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.759472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.759472 (E_RNA) where: Base-Base interactions energy: -571.753 where: short stacking energy: -265.008 Base-Backbone interact. energy: -1.296 local terms energy: -299.711191 where: bonds (distance) C4'-P energy: -66.442 bonds (distance) P-C4' energy: -54.844 flat angles C4'-P-C4' energy: -61.923 flat angles P-C4'-P energy: -41.539 tors. eta vs tors. theta energy: -74.963 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: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -724.623836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.623836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.623836 (E_RNA) where: Base-Base interactions energy: -486.541 where: short stacking energy: -203.849 Base-Backbone interact. energy: -1.268 local terms energy: -236.814357 where: bonds (distance) C4'-P energy: -53.210 bonds (distance) P-C4' energy: -44.399 flat angles C4'-P-C4' energy: -54.333 flat angles P-C4'-P energy: -45.571 tors. eta vs tors. theta energy: -39.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -738.123677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.123677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.123677 (E_RNA) where: Base-Base interactions energy: -482.271 where: short stacking energy: -229.904 Base-Backbone interact. energy: 2.777 local terms energy: -258.629931 where: bonds (distance) C4'-P energy: -49.075 bonds (distance) P-C4' energy: -50.965 flat angles C4'-P-C4' energy: -60.154 flat angles P-C4'-P energy: -32.876 tors. eta vs tors. theta energy: -65.561 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: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -326.030014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.030014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.030014 (E_RNA) where: Base-Base interactions energy: -130.050 where: short stacking energy: -84.282 Base-Backbone interact. energy: -0.189 local terms energy: -195.790697 where: bonds (distance) C4'-P energy: -58.181 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -48.411 flat angles P-C4'-P energy: -26.158 tors. eta vs tors. theta energy: 0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -310.404382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.404382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.404382 (E_RNA) where: Base-Base interactions energy: -123.592 where: short stacking energy: -97.398 Base-Backbone interact. energy: 2.734 local terms energy: -189.545999 where: bonds (distance) C4'-P energy: -56.041 bonds (distance) P-C4' energy: -41.601 flat angles C4'-P-C4' energy: -44.554 flat angles P-C4'-P energy: -40.376 tors. eta vs tors. theta energy: -6.974 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: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -249.701467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.701467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.701467 (E_RNA) where: Base-Base interactions energy: -91.911 where: short stacking energy: -81.092 Base-Backbone interact. energy: 2.240 local terms energy: -160.029874 where: bonds (distance) C4'-P energy: -54.028 bonds (distance) P-C4' energy: -60.815 flat angles C4'-P-C4' energy: -36.566 flat angles P-C4'-P energy: -21.346 tors. eta vs tors. theta energy: 12.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1071.244115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.244115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.244115 (E_RNA) where: Base-Base interactions energy: -729.590 where: short stacking energy: -334.289 Base-Backbone interact. energy: 1.531 local terms energy: -343.185181 where: bonds (distance) C4'-P energy: -62.263 bonds (distance) P-C4' energy: -61.290 flat angles C4'-P-C4' energy: -70.203 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: -97.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1041.986260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.986260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.986260 (E_RNA) where: Base-Base interactions energy: -722.725 where: short stacking energy: -320.207 Base-Backbone interact. energy: -0.020 local terms energy: -319.241367 where: bonds (distance) C4'-P energy: -60.153 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -68.909 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -87.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -989.125061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.125061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.125061 (E_RNA) where: Base-Base interactions energy: -680.710 where: short stacking energy: -285.660 Base-Backbone interact. energy: -1.711 local terms energy: -306.703779 where: bonds (distance) C4'-P energy: -64.631 bonds (distance) P-C4' energy: -52.978 flat angles C4'-P-C4' energy: -64.352 flat angles P-C4'-P energy: -40.097 tors. eta vs tors. theta energy: -84.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -977.334214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.334214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.334214 (E_RNA) where: Base-Base interactions energy: -676.432 where: short stacking energy: -284.429 Base-Backbone interact. energy: -2.286 local terms energy: -298.616729 where: bonds (distance) C4'-P energy: -55.952 bonds (distance) P-C4' energy: -56.489 flat angles C4'-P-C4' energy: -70.443 flat angles P-C4'-P energy: -33.658 tors. eta vs tors. theta energy: -82.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -867.142524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.142524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.142524 (E_RNA) where: Base-Base interactions energy: -572.297 where: short stacking energy: -264.269 Base-Backbone interact. energy: -0.225 local terms energy: -294.620656 where: bonds (distance) C4'-P energy: -50.895 bonds (distance) P-C4' energy: -58.483 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -38.476 tors. eta vs tors. theta energy: -75.731 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -791.528733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.528733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.528733 (E_RNA) where: Base-Base interactions energy: -504.051 where: short stacking energy: -236.737 Base-Backbone interact. energy: -0.925 local terms energy: -286.552963 where: bonds (distance) C4'-P energy: -58.419 bonds (distance) P-C4' energy: -58.095 flat angles C4'-P-C4' energy: -58.205 flat angles P-C4'-P energy: -41.575 tors. eta vs tors. theta energy: -70.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -666.878002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.878002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.878002 (E_RNA) where: Base-Base interactions energy: -419.031 where: short stacking energy: -204.958 Base-Backbone interact. energy: 1.763 local terms energy: -249.610093 where: bonds (distance) C4'-P energy: -50.902 bonds (distance) P-C4' energy: -61.381 flat angles C4'-P-C4' energy: -62.243 flat angles P-C4'-P energy: -30.752 tors. eta vs tors. theta energy: -44.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -378.965487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.965487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.965487 (E_RNA) where: Base-Base interactions energy: -168.557 where: short stacking energy: -111.390 Base-Backbone interact. energy: 0.772 local terms energy: -211.180135 where: bonds (distance) C4'-P energy: -44.050 bonds (distance) P-C4' energy: -53.672 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -38.351 tors. eta vs tors. theta energy: -14.707 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: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -300.328868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.328868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.328868 (E_RNA) where: Base-Base interactions energy: -101.948 where: short stacking energy: -80.219 Base-Backbone interact. energy: -1.870 local terms energy: -196.511540 where: bonds (distance) C4'-P energy: -55.135 bonds (distance) P-C4' energy: -61.191 flat angles C4'-P-C4' energy: -42.895 flat angles P-C4'-P energy: -42.525 tors. eta vs tors. theta energy: 5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -264.378065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.378065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.378065 (E_RNA) where: Base-Base interactions energy: -104.667 where: short stacking energy: -95.537 Base-Backbone interact. energy: -0.167 local terms energy: -159.544321 where: bonds (distance) C4'-P energy: -50.130 bonds (distance) P-C4' energy: -49.514 flat angles C4'-P-C4' energy: -31.894 flat angles P-C4'-P energy: -35.877 tors. eta vs tors. theta energy: 7.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1087.651425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.651425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.651425 (E_RNA) where: Base-Base interactions energy: -739.531 where: short stacking energy: -332.823 Base-Backbone interact. energy: -1.861 local terms energy: -346.260307 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -68.834 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -100.397 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: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1039.640246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.640246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.640246 (E_RNA) where: Base-Base interactions energy: -694.778 where: short stacking energy: -305.102 Base-Backbone interact. energy: -2.083 local terms energy: -342.779350 where: bonds (distance) C4'-P energy: -64.073 bonds (distance) P-C4' energy: -70.728 flat angles C4'-P-C4' energy: -71.745 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: -89.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -981.224775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.224775 (E_RNA) where: Base-Base interactions energy: -670.884 where: short stacking energy: -294.178 Base-Backbone interact. energy: -2.820 local terms energy: -307.520732 where: bonds (distance) C4'-P energy: -57.036 bonds (distance) P-C4' energy: -63.142 flat angles C4'-P-C4' energy: -64.360 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -80.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -940.683926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.683926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.683926 (E_RNA) where: Base-Base interactions energy: -629.033 where: short stacking energy: -283.163 Base-Backbone interact. energy: 1.042 local terms energy: -312.692437 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -57.154 flat angles C4'-P-C4' energy: -67.552 flat angles P-C4'-P energy: -50.853 tors. eta vs tors. theta energy: -75.239 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: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -871.393096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.393096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.393096 (E_RNA) where: Base-Base interactions energy: -572.186 where: short stacking energy: -236.422 Base-Backbone interact. energy: -0.134 local terms energy: -299.072426 where: bonds (distance) C4'-P energy: -57.990 bonds (distance) P-C4' energy: -67.595 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: -67.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -782.556119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.556119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.556119 (E_RNA) where: Base-Base interactions energy: -509.497 where: short stacking energy: -241.877 Base-Backbone interact. energy: 0.618 local terms energy: -273.677197 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -42.671 flat angles C4'-P-C4' energy: -54.390 flat angles P-C4'-P energy: -36.652 tors. eta vs tors. theta energy: -72.736 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: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -614.277214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.277214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.277214 (E_RNA) where: Base-Base interactions energy: -364.871 where: short stacking energy: -173.844 Base-Backbone interact. energy: -1.573 local terms energy: -247.832455 where: bonds (distance) C4'-P energy: -49.844 bonds (distance) P-C4' energy: -53.563 flat angles C4'-P-C4' energy: -56.429 flat angles P-C4'-P energy: -48.715 tors. eta vs tors. theta energy: -39.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -363.281319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.281319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.281319 (E_RNA) where: Base-Base interactions energy: -152.646 where: short stacking energy: -116.039 Base-Backbone interact. energy: 0.770 local terms energy: -211.405800 where: bonds (distance) C4'-P energy: -61.445 bonds (distance) P-C4' energy: -59.538 flat angles C4'-P-C4' energy: -60.393 flat angles P-C4'-P energy: -21.278 tors. eta vs tors. theta energy: -8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -307.361227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.361227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.361227 (E_RNA) where: Base-Base interactions energy: -143.638 where: short stacking energy: -87.496 Base-Backbone interact. energy: -0.484 local terms energy: -163.239308 where: bonds (distance) C4'-P energy: -56.812 bonds (distance) P-C4' energy: -48.806 flat angles C4'-P-C4' energy: -41.779 flat angles P-C4'-P energy: -23.418 tors. eta vs tors. theta energy: 7.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -308.892227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.892227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.892227 (E_RNA) where: Base-Base interactions energy: -137.592 where: short stacking energy: -83.168 Base-Backbone interact. energy: 0.317 local terms energy: -171.617582 where: bonds (distance) C4'-P energy: -46.436 bonds (distance) P-C4' energy: -51.106 flat angles C4'-P-C4' energy: -55.655 flat angles P-C4'-P energy: -30.574 tors. eta vs tors. theta energy: 12.153 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: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1104.867422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.867422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.867422 (E_RNA) where: Base-Base interactions energy: -751.041 where: short stacking energy: -330.391 Base-Backbone interact. energy: -1.727 local terms energy: -352.098997 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -61.658 flat angles C4'-P-C4' energy: -70.203 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: -103.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1029.116393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.116393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.116393 (E_RNA) where: Base-Base interactions energy: -696.891 where: short stacking energy: -304.606 Base-Backbone interact. energy: -2.163 local terms energy: -330.062580 where: bonds (distance) C4'-P energy: -63.719 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -74.267 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -81.262 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: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1000.815140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.815140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.815140 (E_RNA) where: Base-Base interactions energy: -673.712 where: short stacking energy: -283.189 Base-Backbone interact. energy: -0.695 local terms energy: -326.407714 where: bonds (distance) C4'-P energy: -60.718 bonds (distance) P-C4' energy: -63.843 flat angles C4'-P-C4' energy: -68.475 flat angles P-C4'-P energy: -44.484 tors. eta vs tors. theta energy: -88.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -955.712330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.712330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.712330 (E_RNA) where: Base-Base interactions energy: -654.875 where: short stacking energy: -294.940 Base-Backbone interact. energy: -0.604 local terms energy: -300.233357 where: bonds (distance) C4'-P energy: -66.801 bonds (distance) P-C4' energy: -53.316 flat angles C4'-P-C4' energy: -60.595 flat angles P-C4'-P energy: -37.739 tors. eta vs tors. theta energy: -81.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -868.713908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.713908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.713908 (E_RNA) where: Base-Base interactions energy: -578.963 where: short stacking energy: -266.085 Base-Backbone interact. energy: -0.517 local terms energy: -289.233848 where: bonds (distance) C4'-P energy: -50.357 bonds (distance) P-C4' energy: -67.676 flat angles C4'-P-C4' energy: -60.007 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: -69.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -798.617099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.617099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.617099 (E_RNA) where: Base-Base interactions energy: -522.034 where: short stacking energy: -247.304 Base-Backbone interact. energy: -0.471 local terms energy: -276.112193 where: bonds (distance) C4'-P energy: -50.574 bonds (distance) P-C4' energy: -67.438 flat angles C4'-P-C4' energy: -48.858 flat angles P-C4'-P energy: -33.741 tors. eta vs tors. theta energy: -75.501 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: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -590.633001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.633001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.633001 (E_RNA) where: Base-Base interactions energy: -350.047 where: short stacking energy: -162.471 Base-Backbone interact. energy: -1.848 local terms energy: -238.738053 where: bonds (distance) C4'-P energy: -59.799 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -55.616 flat angles P-C4'-P energy: -39.542 tors. eta vs tors. theta energy: -21.676 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: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -327.660184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.660184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.660184 (E_RNA) where: Base-Base interactions energy: -144.352 where: short stacking energy: -91.167 Base-Backbone interact. energy: -0.333 local terms energy: -182.974648 where: bonds (distance) C4'-P energy: -54.883 bonds (distance) P-C4' energy: -53.219 flat angles C4'-P-C4' energy: -48.434 flat angles P-C4'-P energy: -25.628 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: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -290.060454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.060454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.060454 (E_RNA) where: Base-Base interactions energy: -122.009 where: short stacking energy: -95.108 Base-Backbone interact. energy: -0.969 local terms energy: -167.082089 where: bonds (distance) C4'-P energy: -45.927 bonds (distance) P-C4' energy: -56.818 flat angles C4'-P-C4' energy: -38.269 flat angles P-C4'-P energy: -33.152 tors. eta vs tors. theta energy: 7.084 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: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -258.130896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.130896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.130896 (E_RNA) where: Base-Base interactions energy: -88.174 where: short stacking energy: -71.975 Base-Backbone interact. energy: 0.038 local terms energy: -169.994394 where: bonds (distance) C4'-P energy: -37.573 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -50.638 flat angles P-C4'-P energy: -28.803 tors. eta vs tors. theta energy: 8.784 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: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1044.469326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.469326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.469326 (E_RNA) where: Base-Base interactions energy: -722.475 where: short stacking energy: -306.060 Base-Backbone interact. energy: 1.827 local terms energy: -323.821356 where: bonds (distance) C4'-P energy: -64.640 bonds (distance) P-C4' energy: -63.675 flat angles C4'-P-C4' energy: -69.404 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -83.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1047.063219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.063219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.063219 (E_RNA) where: Base-Base interactions energy: -714.790 where: short stacking energy: -313.024 Base-Backbone interact. energy: -1.514 local terms energy: -330.759534 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -60.109 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -40.810 tors. eta vs tors. theta energy: -94.809 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: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -994.184422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.184422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.184422 (E_RNA) where: Base-Base interactions energy: -663.206 where: short stacking energy: -291.970 Base-Backbone interact. energy: -0.108 local terms energy: -330.870575 where: bonds (distance) C4'-P energy: -65.161 bonds (distance) P-C4' energy: -66.785 flat angles C4'-P-C4' energy: -65.493 flat angles P-C4'-P energy: -45.195 tors. eta vs tors. theta energy: -88.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -922.020656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.020656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.020656 (E_RNA) where: Base-Base interactions energy: -638.774 where: short stacking energy: -268.557 Base-Backbone interact. energy: -1.749 local terms energy: -281.497495 where: bonds (distance) C4'-P energy: -59.591 bonds (distance) P-C4' energy: -55.956 flat angles C4'-P-C4' energy: -55.110 flat angles P-C4'-P energy: -34.500 tors. eta vs tors. theta energy: -76.340 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: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -841.002028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.002028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.002028 (E_RNA) where: Base-Base interactions energy: -553.063 where: short stacking energy: -245.076 Base-Backbone interact. energy: -0.407 local terms energy: -287.532183 where: bonds (distance) C4'-P energy: -59.550 bonds (distance) P-C4' energy: -59.012 flat angles C4'-P-C4' energy: -69.424 flat angles P-C4'-P energy: -42.564 tors. eta vs tors. theta energy: -56.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -741.646004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.646004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.646004 (E_RNA) where: Base-Base interactions energy: -464.817 where: short stacking energy: -227.729 Base-Backbone interact. energy: -0.844 local terms energy: -275.985253 where: bonds (distance) C4'-P energy: -57.075 bonds (distance) P-C4' energy: -49.703 flat angles C4'-P-C4' energy: -69.202 flat angles P-C4'-P energy: -39.319 tors. eta vs tors. theta energy: -60.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -572.258878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.258878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.258878 (E_RNA) where: Base-Base interactions energy: -347.802 where: short stacking energy: -163.444 Base-Backbone interact. energy: -0.553 local terms energy: -223.904527 where: bonds (distance) C4'-P energy: -52.186 bonds (distance) P-C4' energy: -57.303 flat angles C4'-P-C4' energy: -49.757 flat angles P-C4'-P energy: -38.273 tors. eta vs tors. theta energy: -26.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -312.953373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.953373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.953373 (E_RNA) where: Base-Base interactions energy: -129.676 where: short stacking energy: -77.141 Base-Backbone interact. energy: 0.603 local terms energy: -183.879926 where: bonds (distance) C4'-P energy: -43.867 bonds (distance) P-C4' energy: -40.738 flat angles C4'-P-C4' energy: -65.429 flat angles P-C4'-P energy: -32.860 tors. eta vs tors. theta energy: -0.986 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: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -284.721203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.721203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.721203 (E_RNA) where: Base-Base interactions energy: -102.867 where: short stacking energy: -92.454 Base-Backbone interact. energy: -1.282 local terms energy: -180.572972 where: bonds (distance) C4'-P energy: -47.338 bonds (distance) P-C4' energy: -57.910 flat angles C4'-P-C4' energy: -41.983 flat angles P-C4'-P energy: -34.177 tors. eta vs tors. theta energy: 0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -273.168634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.168634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.168634 (E_RNA) where: Base-Base interactions energy: -90.417 where: short stacking energy: -77.727 Base-Backbone interact. energy: 1.339 local terms energy: -184.090216 where: bonds (distance) C4'-P energy: -56.350 bonds (distance) P-C4' energy: -58.308 flat angles C4'-P-C4' energy: -52.390 flat angles P-C4'-P energy: -21.904 tors. eta vs tors. theta energy: 4.862 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: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1058.899959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.899959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.899959 (E_RNA) where: Base-Base interactions energy: -725.519 where: short stacking energy: -319.656 Base-Backbone interact. energy: -2.096 local terms energy: -331.285228 where: bonds (distance) C4'-P energy: -66.413 bonds (distance) P-C4' energy: -59.397 flat angles C4'-P-C4' energy: -64.930 flat angles P-C4'-P energy: -48.476 tors. eta vs tors. theta energy: -92.070 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: 417 Temperature: 0.950000 Total energy: -1033.684997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.684997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.684997 (E_RNA) where: Base-Base interactions energy: -702.538 where: short stacking energy: -306.281 Base-Backbone interact. energy: -0.878 local terms energy: -330.269101 where: bonds (distance) C4'-P energy: -60.541 bonds (distance) P-C4' energy: -72.215 flat angles C4'-P-C4' energy: -72.301 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -84.594 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: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -977.641672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.641672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.641672 (E_RNA) where: Base-Base interactions energy: -675.869 where: short stacking energy: -292.348 Base-Backbone interact. energy: 3.550 local terms energy: -305.322411 where: bonds (distance) C4'-P energy: -61.348 bonds (distance) P-C4' energy: -58.632 flat angles C4'-P-C4' energy: -65.807 flat angles P-C4'-P energy: -37.273 tors. eta vs tors. theta energy: -82.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -931.873024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.873024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.873024 (E_RNA) where: Base-Base interactions energy: -617.869 where: short stacking energy: -280.407 Base-Backbone interact. energy: 1.985 local terms energy: -315.989054 where: bonds (distance) C4'-P energy: -67.224 bonds (distance) P-C4' energy: -50.751 flat angles C4'-P-C4' energy: -61.033 flat angles P-C4'-P energy: -45.625 tors. eta vs tors. theta energy: -91.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -852.929052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.929052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.929052 (E_RNA) where: Base-Base interactions energy: -561.832 where: short stacking energy: -266.119 Base-Backbone interact. energy: -0.946 local terms energy: -290.151213 where: bonds (distance) C4'-P energy: -60.080 bonds (distance) P-C4' energy: -55.173 flat angles C4'-P-C4' energy: -56.219 flat angles P-C4'-P energy: -44.096 tors. eta vs tors. theta energy: -74.583 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: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -749.716993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.716993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.716993 (E_RNA) where: Base-Base interactions energy: -485.785 where: short stacking energy: -231.487 Base-Backbone interact. energy: -0.562 local terms energy: -263.369637 where: bonds (distance) C4'-P energy: -54.835 bonds (distance) P-C4' energy: -50.308 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -30.130 tors. eta vs tors. theta energy: -56.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -590.147761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.147761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.147761 (E_RNA) where: Base-Base interactions energy: -345.542 where: short stacking energy: -162.483 Base-Backbone interact. energy: -1.351 local terms energy: -243.254846 where: bonds (distance) C4'-P energy: -48.205 bonds (distance) P-C4' energy: -55.873 flat angles C4'-P-C4' energy: -67.102 flat angles P-C4'-P energy: -35.762 tors. eta vs tors. theta energy: -36.313 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: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -318.129316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.129316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.129316 (E_RNA) where: Base-Base interactions energy: -104.267 where: short stacking energy: -101.527 Base-Backbone interact. energy: -0.164 local terms energy: -213.698663 where: bonds (distance) C4'-P energy: -65.430 bonds (distance) P-C4' energy: -54.984 flat angles C4'-P-C4' energy: -55.293 flat angles P-C4'-P energy: -26.292 tors. eta vs tors. theta energy: -11.700 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: 9, replica: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -339.326108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.326108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.326108 (E_RNA) where: Base-Base interactions energy: -166.101 where: short stacking energy: -73.229 Base-Backbone interact. energy: 0.025 local terms energy: -173.249984 where: bonds (distance) C4'-P energy: -50.391 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -43.530 flat angles P-C4'-P energy: -26.713 tors. eta vs tors. theta energy: 4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -283.635034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.635034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.635034 (E_RNA) where: Base-Base interactions energy: -109.401 where: short stacking energy: -81.297 Base-Backbone interact. energy: 1.887 local terms energy: -176.121421 where: bonds (distance) C4'-P energy: -44.916 bonds (distance) P-C4' energy: -48.491 flat angles C4'-P-C4' energy: -52.822 flat angles P-C4'-P energy: -37.274 tors. eta vs tors. theta energy: 7.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1068.135426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.135426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.135426 (E_RNA) where: Base-Base interactions energy: -727.478 where: short stacking energy: -318.752 Base-Backbone interact. energy: -0.792 local terms energy: -339.864939 where: bonds (distance) C4'-P energy: -66.332 bonds (distance) P-C4' energy: -60.180 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -95.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1052.584539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.584539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.584539 (E_RNA) where: Base-Base interactions energy: -723.103 where: short stacking energy: -307.009 Base-Backbone interact. energy: -1.488 local terms energy: -327.993208 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -74.229 flat angles P-C4'-P energy: -42.160 tors. eta vs tors. theta energy: -81.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -989.101206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.101206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.101206 (E_RNA) where: Base-Base interactions energy: -679.045 where: short stacking energy: -296.320 Base-Backbone interact. energy: -1.969 local terms energy: -308.087513 where: bonds (distance) C4'-P energy: -63.295 bonds (distance) P-C4' energy: -56.542 flat angles C4'-P-C4' energy: -68.188 flat angles P-C4'-P energy: -39.245 tors. eta vs tors. theta energy: -80.817 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: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -936.418754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.418754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.418754 (E_RNA) where: Base-Base interactions energy: -646.204 where: short stacking energy: -282.063 Base-Backbone interact. energy: 3.650 local terms energy: -293.864998 where: bonds (distance) C4'-P energy: -52.698 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -66.889 flat angles P-C4'-P energy: -30.008 tors. eta vs tors. theta energy: -79.047 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: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -886.869997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.869997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.869997 (E_RNA) where: Base-Base interactions energy: -592.267 where: short stacking energy: -271.572 Base-Backbone interact. energy: -0.232 local terms energy: -294.371432 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -45.967 flat angles C4'-P-C4' energy: -63.746 flat angles P-C4'-P energy: -47.549 tors. eta vs tors. theta energy: -78.794 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: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -745.932100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.932100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.932100 (E_RNA) where: Base-Base interactions energy: -477.094 where: short stacking energy: -229.212 Base-Backbone interact. energy: 0.440 local terms energy: -269.277800 where: bonds (distance) C4'-P energy: -53.656 bonds (distance) P-C4' energy: -53.172 flat angles C4'-P-C4' energy: -60.062 flat angles P-C4'-P energy: -45.131 tors. eta vs tors. theta energy: -57.257 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: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -560.711320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.711320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.711320 (E_RNA) where: Base-Base interactions energy: -346.487 where: short stacking energy: -154.459 Base-Backbone interact. energy: -1.088 local terms energy: -213.135628 where: bonds (distance) C4'-P energy: -52.689 bonds (distance) P-C4' energy: -54.479 flat angles C4'-P-C4' energy: -52.519 flat angles P-C4'-P energy: -39.072 tors. eta vs tors. theta energy: -14.377 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: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -351.507854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.507854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.507854 (E_RNA) where: Base-Base interactions energy: -131.909 where: short stacking energy: -107.074 Base-Backbone interact. energy: -0.100 local terms energy: -219.498391 where: bonds (distance) C4'-P energy: -60.455 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -53.343 flat angles P-C4'-P energy: -36.865 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -344.398476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.398476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.398476 (E_RNA) where: Base-Base interactions energy: -163.617 where: short stacking energy: -92.787 Base-Backbone interact. energy: -2.038 local terms energy: -178.743733 where: bonds (distance) C4'-P energy: -52.628 bonds (distance) P-C4' energy: -58.201 flat angles C4'-P-C4' energy: -44.053 flat angles P-C4'-P energy: -24.459 tors. eta vs tors. theta energy: 0.597 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: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -284.902596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.902596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.902596 (E_RNA) where: Base-Base interactions energy: -102.366 where: short stacking energy: -91.106 Base-Backbone interact. energy: -0.716 local terms energy: -181.820298 where: bonds (distance) C4'-P energy: -57.162 bonds (distance) P-C4' energy: -58.046 flat angles C4'-P-C4' energy: -31.850 flat angles P-C4'-P energy: -33.637 tors. eta vs tors. theta energy: -1.125 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: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1072.754595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.754595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.754595 (E_RNA) where: Base-Base interactions energy: -732.693 where: short stacking energy: -339.294 Base-Backbone interact. energy: -1.245 local terms energy: -338.815868 where: bonds (distance) C4'-P energy: -56.363 bonds (distance) P-C4' energy: -68.856 flat angles C4'-P-C4' energy: -67.437 flat angles P-C4'-P energy: -50.292 tors. eta vs tors. theta energy: -95.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1056.415433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.415433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.415433 (E_RNA) where: Base-Base interactions energy: -732.257 where: short stacking energy: -318.337 Base-Backbone interact. energy: -3.083 local terms energy: -321.075300 where: bonds (distance) C4'-P energy: -56.289 bonds (distance) P-C4' energy: -62.756 flat angles C4'-P-C4' energy: -69.418 flat angles P-C4'-P energy: -45.436 tors. eta vs tors. theta energy: -87.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1007.471980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.471980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.471980 (E_RNA) where: Base-Base interactions energy: -683.328 where: short stacking energy: -301.622 Base-Backbone interact. energy: -0.194 local terms energy: -323.950047 where: bonds (distance) C4'-P energy: -58.136 bonds (distance) P-C4' energy: -72.435 flat angles C4'-P-C4' energy: -63.895 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: -86.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -946.202294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.202294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.202294 (E_RNA) where: Base-Base interactions energy: -632.865 where: short stacking energy: -273.345 Base-Backbone interact. energy: -0.376 local terms energy: -312.961978 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -56.181 flat angles C4'-P-C4' energy: -67.553 flat angles P-C4'-P energy: -42.383 tors. eta vs tors. theta energy: -83.934 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: 5, replica: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -858.659583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.659583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.659583 (E_RNA) where: Base-Base interactions energy: -581.040 where: short stacking energy: -283.851 Base-Backbone interact. energy: 0.074 local terms energy: -277.693227 where: bonds (distance) C4'-P energy: -52.918 bonds (distance) P-C4' energy: -55.486 flat angles C4'-P-C4' energy: -57.618 flat angles P-C4'-P energy: -28.596 tors. eta vs tors. theta energy: -83.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -769.626597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.626597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.626597 (E_RNA) where: Base-Base interactions energy: -476.337 where: short stacking energy: -229.410 Base-Backbone interact. energy: -1.791 local terms energy: -291.498961 where: bonds (distance) C4'-P energy: -59.885 bonds (distance) P-C4' energy: -60.238 flat angles C4'-P-C4' energy: -56.668 flat angles P-C4'-P energy: -42.362 tors. eta vs tors. theta energy: -72.345 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: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -581.906982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.906982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.906982 (E_RNA) where: Base-Base interactions energy: -359.483 where: short stacking energy: -154.754 Base-Backbone interact. energy: -1.157 local terms energy: -221.267812 where: bonds (distance) C4'-P energy: -48.516 bonds (distance) P-C4' energy: -57.567 flat angles C4'-P-C4' energy: -58.638 flat angles P-C4'-P energy: -30.527 tors. eta vs tors. theta energy: -26.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -328.962563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.962563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.962563 (E_RNA) where: Base-Base interactions energy: -142.162 where: short stacking energy: -119.700 Base-Backbone interact. energy: 5.768 local terms energy: -192.568461 where: bonds (distance) C4'-P energy: -60.634 bonds (distance) P-C4' energy: -54.852 flat angles C4'-P-C4' energy: -43.397 flat angles P-C4'-P energy: -16.001 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: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -335.625674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.625674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.625674 (E_RNA) where: Base-Base interactions energy: -162.944 where: short stacking energy: -105.353 Base-Backbone interact. energy: -0.602 local terms energy: -172.079006 where: bonds (distance) C4'-P energy: -47.172 bonds (distance) P-C4' energy: -60.784 flat angles C4'-P-C4' energy: -49.663 flat angles P-C4'-P energy: -14.709 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -303.269161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.269161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.269161 (E_RNA) where: Base-Base interactions energy: -137.825 where: short stacking energy: -86.338 Base-Backbone interact. energy: 0.551 local terms energy: -165.995886 where: bonds (distance) C4'-P energy: -50.132 bonds (distance) P-C4' energy: -56.720 flat angles C4'-P-C4' energy: -37.413 flat angles P-C4'-P energy: -27.905 tors. eta vs tors. theta energy: 6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1080.430420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.430420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.430420 (E_RNA) where: Base-Base interactions energy: -726.586 where: short stacking energy: -308.392 Base-Backbone interact. energy: -1.096 local terms energy: -352.748714 where: bonds (distance) C4'-P energy: -68.830 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -64.031 flat angles P-C4'-P energy: -56.097 tors. eta vs tors. theta energy: -91.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1050.947388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.947388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.947388 (E_RNA) where: Base-Base interactions energy: -718.874 where: short stacking energy: -309.307 Base-Backbone interact. energy: -1.655 local terms energy: -330.417798 where: bonds (distance) C4'-P energy: -57.518 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -78.517 flat angles P-C4'-P energy: -41.900 tors. eta vs tors. theta energy: -86.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -994.843905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.843905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.843905 (E_RNA) where: Base-Base interactions energy: -662.760 where: short stacking energy: -280.994 Base-Backbone interact. energy: -1.777 local terms energy: -330.306421 where: bonds (distance) C4'-P energy: -66.207 bonds (distance) P-C4' energy: -70.488 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -41.160 tors. eta vs tors. theta energy: -83.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -944.562208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.562208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.562208 (E_RNA) where: Base-Base interactions energy: -623.301 where: short stacking energy: -278.301 Base-Backbone interact. energy: -0.156 local terms energy: -321.105058 where: bonds (distance) C4'-P energy: -59.713 bonds (distance) P-C4' energy: -56.128 flat angles C4'-P-C4' energy: -65.397 flat angles P-C4'-P energy: -49.459 tors. eta vs tors. theta energy: -90.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -843.279693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.279693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.279693 (E_RNA) where: Base-Base interactions energy: -560.037 where: short stacking energy: -250.697 Base-Backbone interact. energy: -0.811 local terms energy: -282.431652 where: bonds (distance) C4'-P energy: -43.208 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -68.837 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: -68.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -776.792971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.792971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.792971 (E_RNA) where: Base-Base interactions energy: -497.567 where: short stacking energy: -231.497 Base-Backbone interact. energy: 1.066 local terms energy: -280.291644 where: bonds (distance) C4'-P energy: -56.062 bonds (distance) P-C4' energy: -57.452 flat angles C4'-P-C4' energy: -57.653 flat angles P-C4'-P energy: -43.300 tors. eta vs tors. theta energy: -65.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -611.543530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.543530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.543530 (E_RNA) where: Base-Base interactions energy: -393.362 where: short stacking energy: -162.416 Base-Backbone interact. energy: -0.845 local terms energy: -217.336355 where: bonds (distance) C4'-P energy: -52.746 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -57.169 flat angles P-C4'-P energy: -31.418 tors. eta vs tors. theta energy: -20.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -314.882128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.882128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.882128 (E_RNA) where: Base-Base interactions energy: -122.848 where: short stacking energy: -115.390 Base-Backbone interact. energy: -0.434 local terms energy: -191.600095 where: bonds (distance) C4'-P energy: -53.380 bonds (distance) P-C4' energy: -58.321 flat angles C4'-P-C4' energy: -46.717 flat angles P-C4'-P energy: -19.424 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: 9, replica: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -339.963770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.963770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.963770 (E_RNA) where: Base-Base interactions energy: -151.252 where: short stacking energy: -89.085 Base-Backbone interact. energy: 7.918 local terms energy: -196.629838 where: bonds (distance) C4'-P energy: -55.791 bonds (distance) P-C4' energy: -59.291 flat angles C4'-P-C4' energy: -43.582 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: 5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -281.788446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.788446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.788446 (E_RNA) where: Base-Base interactions energy: -113.901 where: short stacking energy: -66.773 Base-Backbone interact. energy: -1.817 local terms energy: -166.070757 where: bonds (distance) C4'-P energy: -49.941 bonds (distance) P-C4' energy: -56.361 flat angles C4'-P-C4' energy: -39.231 flat angles P-C4'-P energy: -39.504 tors. eta vs tors. theta energy: 18.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1087.726425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.726425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.726425 (E_RNA) where: Base-Base interactions energy: -752.123 where: short stacking energy: -337.480 Base-Backbone interact. energy: 2.078 local terms energy: -337.681804 where: bonds (distance) C4'-P energy: -74.490 bonds (distance) P-C4' energy: -56.679 flat angles C4'-P-C4' energy: -61.714 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -95.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1035.720782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.720782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.720782 (E_RNA) where: Base-Base interactions energy: -717.698 where: short stacking energy: -306.788 Base-Backbone interact. energy: -0.640 local terms energy: -317.383199 where: bonds (distance) C4'-P energy: -44.337 bonds (distance) P-C4' energy: -68.425 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -82.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -992.304247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.304247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.304247 (E_RNA) where: Base-Base interactions energy: -671.988 where: short stacking energy: -288.826 Base-Backbone interact. energy: 1.844 local terms energy: -322.160194 where: bonds (distance) C4'-P energy: -66.932 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -64.730 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -83.623 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: 421 Temperature: 1.050000 Total energy: -922.216103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.216103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.216103 (E_RNA) where: Base-Base interactions energy: -604.444 where: short stacking energy: -284.351 Base-Backbone interact. energy: -2.169 local terms energy: -315.603856 where: bonds (distance) C4'-P energy: -65.314 bonds (distance) P-C4' energy: -61.566 flat angles C4'-P-C4' energy: -61.420 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -83.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -833.355962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.355962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.355962 (E_RNA) where: Base-Base interactions energy: -543.927 where: short stacking energy: -251.350 Base-Backbone interact. energy: 0.490 local terms energy: -289.918747 where: bonds (distance) C4'-P energy: -65.467 bonds (distance) P-C4' energy: -44.162 flat angles C4'-P-C4' energy: -63.678 flat angles P-C4'-P energy: -42.586 tors. eta vs tors. theta energy: -74.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -766.489826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.489826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.489826 (E_RNA) where: Base-Base interactions energy: -489.186 where: short stacking energy: -221.606 Base-Backbone interact. energy: -2.044 local terms energy: -275.260302 where: bonds (distance) C4'-P energy: -52.338 bonds (distance) P-C4' energy: -66.476 flat angles C4'-P-C4' energy: -67.371 flat angles P-C4'-P energy: -38.027 tors. eta vs tors. theta energy: -51.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -658.454947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.454947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.454947 (E_RNA) where: Base-Base interactions energy: -418.804 where: short stacking energy: -179.467 Base-Backbone interact. energy: -2.406 local terms energy: -237.245437 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -62.901 flat angles P-C4'-P energy: -29.956 tors. eta vs tors. theta energy: -22.237 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: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -481.439015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.439015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.439015 (E_RNA) where: Base-Base interactions energy: -262.454 where: short stacking energy: -128.218 Base-Backbone interact. energy: -0.710 local terms energy: -218.274983 where: bonds (distance) C4'-P energy: -59.216 bonds (distance) P-C4' energy: -53.667 flat angles C4'-P-C4' energy: -61.501 flat angles P-C4'-P energy: -32.170 tors. eta vs tors. theta energy: -11.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -290.794183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.794183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.794183 (E_RNA) where: Base-Base interactions energy: -97.468 where: short stacking energy: -86.818 Base-Backbone interact. energy: 1.083 local terms energy: -194.409126 where: bonds (distance) C4'-P energy: -53.166 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -52.921 flat angles P-C4'-P energy: -33.989 tors. eta vs tors. theta energy: 7.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -272.196291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.196291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.196291 (E_RNA) where: Base-Base interactions energy: -99.825 where: short stacking energy: -87.876 Base-Backbone interact. energy: 2.535 local terms energy: -174.906275 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -50.879 flat angles C4'-P-C4' energy: -38.880 flat angles P-C4'-P energy: -29.401 tors. eta vs tors. theta energy: -1.072 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: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1053.772153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.772153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.772153 (E_RNA) where: Base-Base interactions energy: -725.819 where: short stacking energy: -309.213 Base-Backbone interact. energy: -2.235 local terms energy: -325.718758 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -67.749 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: -80.383 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: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1060.146038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.146038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.146038 (E_RNA) where: Base-Base interactions energy: -718.986 where: short stacking energy: -323.203 Base-Backbone interact. energy: -1.178 local terms energy: -339.981865 where: bonds (distance) C4'-P energy: -68.619 bonds (distance) P-C4' energy: -65.800 flat angles C4'-P-C4' energy: -66.083 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -98.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -994.810132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.810132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.810132 (E_RNA) where: Base-Base interactions energy: -682.534 where: short stacking energy: -300.378 Base-Backbone interact. energy: -2.065 local terms energy: -310.210688 where: bonds (distance) C4'-P energy: -68.477 bonds (distance) P-C4' energy: -57.997 flat angles C4'-P-C4' energy: -51.895 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -85.236 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: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -943.264702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.264702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.264702 (E_RNA) where: Base-Base interactions energy: -627.076 where: short stacking energy: -291.332 Base-Backbone interact. energy: -0.957 local terms energy: -315.230995 where: bonds (distance) C4'-P energy: -59.713 bonds (distance) P-C4' energy: -62.567 flat angles C4'-P-C4' energy: -63.727 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: -86.476 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: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -836.296019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.296019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.296019 (E_RNA) where: Base-Base interactions energy: -540.718 where: short stacking energy: -253.365 Base-Backbone interact. energy: -1.018 local terms energy: -294.559694 where: bonds (distance) C4'-P energy: -71.172 bonds (distance) P-C4' energy: -57.163 flat angles C4'-P-C4' energy: -64.548 flat angles P-C4'-P energy: -36.139 tors. eta vs tors. theta energy: -65.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -757.070634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.070634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.070634 (E_RNA) where: Base-Base interactions energy: -491.946 where: short stacking energy: -223.691 Base-Backbone interact. energy: -0.753 local terms energy: -264.372129 where: bonds (distance) C4'-P energy: -60.039 bonds (distance) P-C4' energy: -49.526 flat angles C4'-P-C4' energy: -54.898 flat angles P-C4'-P energy: -40.130 tors. eta vs tors. theta energy: -59.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -653.715996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.715996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.715996 (E_RNA) where: Base-Base interactions energy: -410.662 where: short stacking energy: -177.185 Base-Backbone interact. energy: -1.207 local terms energy: -241.846655 where: bonds (distance) C4'-P energy: -53.063 bonds (distance) P-C4' energy: -59.905 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -43.192 tors. eta vs tors. theta energy: -22.549 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: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -483.853133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.853133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.853133 (E_RNA) where: Base-Base interactions energy: -273.327 where: short stacking energy: -145.159 Base-Backbone interact. energy: -1.363 local terms energy: -209.162331 where: bonds (distance) C4'-P energy: -55.213 bonds (distance) P-C4' energy: -56.680 flat angles C4'-P-C4' energy: -40.020 flat angles P-C4'-P energy: -33.182 tors. eta vs tors. theta energy: -24.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -303.780933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.780933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.780933 (E_RNA) where: Base-Base interactions energy: -103.852 where: short stacking energy: -95.967 Base-Backbone interact. energy: 0.406 local terms energy: -200.335391 where: bonds (distance) C4'-P energy: -55.865 bonds (distance) P-C4' energy: -57.375 flat angles C4'-P-C4' energy: -45.713 flat angles P-C4'-P energy: -29.929 tors. eta vs tors. theta energy: -11.454 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: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -299.294235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.294235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.294235 (E_RNA) where: Base-Base interactions energy: -125.600 where: short stacking energy: -87.084 Base-Backbone interact. energy: -1.782 local terms energy: -171.912253 where: bonds (distance) C4'-P energy: -38.026 bonds (distance) P-C4' energy: -61.790 flat angles C4'-P-C4' energy: -39.859 flat angles P-C4'-P energy: -34.908 tors. eta vs tors. theta energy: 2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1082.610828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.610828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.610828 (E_RNA) where: Base-Base interactions energy: -753.803 where: short stacking energy: -331.113 Base-Backbone interact. energy: -2.008 local terms energy: -326.799449 where: bonds (distance) C4'-P energy: -63.743 bonds (distance) P-C4' energy: -56.029 flat angles C4'-P-C4' energy: -64.750 flat angles P-C4'-P energy: -48.634 tors. eta vs tors. theta energy: -93.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1053.356189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.356189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.356189 (E_RNA) where: Base-Base interactions energy: -736.289 where: short stacking energy: -337.607 Base-Backbone interact. energy: 0.899 local terms energy: -317.967080 where: bonds (distance) C4'-P energy: -58.097 bonds (distance) P-C4' energy: -54.921 flat angles C4'-P-C4' energy: -62.843 flat angles P-C4'-P energy: -49.063 tors. eta vs tors. theta energy: -93.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -976.039953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.039953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.039953 (E_RNA) where: Base-Base interactions energy: -661.337 where: short stacking energy: -267.968 Base-Backbone interact. energy: 0.744 local terms energy: -315.447602 where: bonds (distance) C4'-P energy: -56.308 bonds (distance) P-C4' energy: -72.522 flat angles C4'-P-C4' energy: -76.259 flat angles P-C4'-P energy: -38.691 tors. eta vs tors. theta energy: -71.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -933.800213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.800213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.800213 (E_RNA) where: Base-Base interactions energy: -638.738 where: short stacking energy: -270.018 Base-Backbone interact. energy: -0.524 local terms energy: -294.538041 where: bonds (distance) C4'-P energy: -56.301 bonds (distance) P-C4' energy: -59.279 flat angles C4'-P-C4' energy: -70.270 flat angles P-C4'-P energy: -39.898 tors. eta vs tors. theta energy: -68.789 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: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -822.240094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.240094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.240094 (E_RNA) where: Base-Base interactions energy: -528.392 where: short stacking energy: -246.492 Base-Backbone interact. energy: -0.988 local terms energy: -292.860870 where: bonds (distance) C4'-P energy: -55.294 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -61.360 flat angles P-C4'-P energy: -41.913 tors. eta vs tors. theta energy: -75.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -775.977034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.977034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.977034 (E_RNA) where: Base-Base interactions energy: -519.062 where: short stacking energy: -232.727 Base-Backbone interact. energy: -0.342 local terms energy: -256.573093 where: bonds (distance) C4'-P energy: -52.095 bonds (distance) P-C4' energy: -57.474 flat angles C4'-P-C4' energy: -58.930 flat angles P-C4'-P energy: -29.525 tors. eta vs tors. theta energy: -58.549 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: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -666.781944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.781944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.781944 (E_RNA) where: Base-Base interactions energy: -435.732 where: short stacking energy: -169.490 Base-Backbone interact. energy: 3.923 local terms energy: -234.973203 where: bonds (distance) C4'-P energy: -59.165 bonds (distance) P-C4' energy: -55.537 flat angles C4'-P-C4' energy: -52.701 flat angles P-C4'-P energy: -35.169 tors. eta vs tors. theta energy: -32.402 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: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -456.598064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.598064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.598064 (E_RNA) where: Base-Base interactions energy: -255.278 where: short stacking energy: -131.223 Base-Backbone interact. energy: -2.010 local terms energy: -199.310479 where: bonds (distance) C4'-P energy: -54.945 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -44.831 flat angles P-C4'-P energy: -33.054 tors. eta vs tors. theta energy: -10.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -325.857911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.857911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.857911 (E_RNA) where: Base-Base interactions energy: -142.296 where: short stacking energy: -109.563 Base-Backbone interact. energy: 0.418 local terms energy: -183.980738 where: bonds (distance) C4'-P energy: -53.657 bonds (distance) P-C4' energy: -52.672 flat angles C4'-P-C4' energy: -40.769 flat angles P-C4'-P energy: -33.301 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: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -266.937858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.937858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.937858 (E_RNA) where: Base-Base interactions energy: -107.710 where: short stacking energy: -100.159 Base-Backbone interact. energy: 1.492 local terms energy: -160.719783 where: bonds (distance) C4'-P energy: -52.473 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -46.152 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: 6.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1074.459995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.459995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.459995 (E_RNA) where: Base-Base interactions energy: -738.232 where: short stacking energy: -310.541 Base-Backbone interact. energy: -1.350 local terms energy: -334.878431 where: bonds (distance) C4'-P energy: -64.319 bonds (distance) P-C4' energy: -66.860 flat angles C4'-P-C4' energy: -72.102 flat angles P-C4'-P energy: -48.383 tors. eta vs tors. theta energy: -83.214 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: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1026.792406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.792406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.792406 (E_RNA) where: Base-Base interactions energy: -708.707 where: short stacking energy: -330.777 Base-Backbone interact. energy: -0.416 local terms energy: -317.669435 where: bonds (distance) C4'-P energy: -54.411 bonds (distance) P-C4' energy: -58.525 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -96.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -996.064147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.064147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.064147 (E_RNA) where: Base-Base interactions energy: -684.835 where: short stacking energy: -292.162 Base-Backbone interact. energy: -0.841 local terms energy: -310.388285 where: bonds (distance) C4'-P energy: -63.233 bonds (distance) P-C4' energy: -66.424 flat angles C4'-P-C4' energy: -63.228 flat angles P-C4'-P energy: -35.034 tors. eta vs tors. theta energy: -82.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -893.849496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.849496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.849496 (E_RNA) where: Base-Base interactions energy: -580.576 where: short stacking energy: -273.451 Base-Backbone interact. energy: -0.315 local terms energy: -312.958971 where: bonds (distance) C4'-P energy: -53.283 bonds (distance) P-C4' energy: -64.441 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -86.451 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: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -802.126418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.126418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.126418 (E_RNA) where: Base-Base interactions energy: -531.033 where: short stacking energy: -243.251 Base-Backbone interact. energy: 0.021 local terms energy: -271.113951 where: bonds (distance) C4'-P energy: -46.601 bonds (distance) P-C4' energy: -70.291 flat angles C4'-P-C4' energy: -59.007 flat angles P-C4'-P energy: -36.559 tors. eta vs tors. theta energy: -58.655 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: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -801.082673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.082673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.082673 (E_RNA) where: Base-Base interactions energy: -510.851 where: short stacking energy: -241.481 Base-Backbone interact. energy: 0.510 local terms energy: -290.741884 where: bonds (distance) C4'-P energy: -56.602 bonds (distance) P-C4' energy: -66.972 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -30.851 tors. eta vs tors. theta energy: -73.958 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: 424 Temperature: 1.200000 Total energy: -653.538181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.538181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.538181 (E_RNA) where: Base-Base interactions energy: -399.855 where: short stacking energy: -178.683 Base-Backbone interact. energy: -1.388 local terms energy: -252.295021 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -64.302 flat angles C4'-P-C4' energy: -56.792 flat angles P-C4'-P energy: -32.806 tors. eta vs tors. theta energy: -39.655 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: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -492.203287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.203287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.203287 (E_RNA) where: Base-Base interactions energy: -282.271 where: short stacking energy: -130.061 Base-Backbone interact. energy: -0.744 local terms energy: -209.188484 where: bonds (distance) C4'-P energy: -61.385 bonds (distance) P-C4' energy: -48.632 flat angles C4'-P-C4' energy: -49.981 flat angles P-C4'-P energy: -40.511 tors. eta vs tors. theta energy: -8.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -297.481046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.481046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.481046 (E_RNA) where: Base-Base interactions energy: -117.568 where: short stacking energy: -94.251 Base-Backbone interact. energy: 0.335 local terms energy: -180.247530 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -44.960 flat angles C4'-P-C4' energy: -50.222 flat angles P-C4'-P energy: -13.851 tors. eta vs tors. theta energy: -14.153 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: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -256.119024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.119024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.119024 (E_RNA) where: Base-Base interactions energy: -72.385 where: short stacking energy: -66.014 Base-Backbone interact. energy: -0.486 local terms energy: -183.247976 where: bonds (distance) C4'-P energy: -66.754 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -49.377 flat angles P-C4'-P energy: -12.072 tors. eta vs tors. theta energy: 11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1089.883256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.883256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.883256 (E_RNA) where: Base-Base interactions energy: -747.927 where: short stacking energy: -342.301 Base-Backbone interact. energy: -2.790 local terms energy: -339.166715 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -60.325 flat angles C4'-P-C4' energy: -78.147 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: -94.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1032.900796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.900796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.900796 (E_RNA) where: Base-Base interactions energy: -702.270 where: short stacking energy: -318.307 Base-Backbone interact. energy: 2.707 local terms energy: -333.338749 where: bonds (distance) C4'-P energy: -55.379 bonds (distance) P-C4' energy: -65.585 flat angles C4'-P-C4' energy: -66.784 flat angles P-C4'-P energy: -47.665 tors. eta vs tors. theta energy: -97.925 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: 3, replica: 2 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -983.483696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.483696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.483696 (E_RNA) where: Base-Base interactions energy: -668.297 where: short stacking energy: -279.879 Base-Backbone interact. energy: -0.990 local terms energy: -314.196112 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -46.257 flat angles C4'-P-C4' energy: -60.811 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -85.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -894.917825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.917825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.917825 (E_RNA) where: Base-Base interactions energy: -581.992 where: short stacking energy: -277.740 Base-Backbone interact. energy: -2.173 local terms energy: -310.752791 where: bonds (distance) C4'-P energy: -58.791 bonds (distance) P-C4' energy: -59.060 flat angles C4'-P-C4' energy: -71.016 flat angles P-C4'-P energy: -39.231 tors. eta vs tors. theta energy: -82.654 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: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -824.175803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.175803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.175803 (E_RNA) where: Base-Base interactions energy: -543.722 where: short stacking energy: -243.417 Base-Backbone interact. energy: 0.291 local terms energy: -280.744905 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -61.606 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -33.576 tors. eta vs tors. theta energy: -53.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -816.866304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.866304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.866304 (E_RNA) where: Base-Base interactions energy: -527.224 where: short stacking energy: -256.924 Base-Backbone interact. energy: -0.356 local terms energy: -289.286470 where: bonds (distance) C4'-P energy: -40.025 bonds (distance) P-C4' energy: -62.491 flat angles C4'-P-C4' energy: -68.938 flat angles P-C4'-P energy: -41.751 tors. eta vs tors. theta energy: -76.082 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: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -676.671839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.671839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.671839 (E_RNA) where: Base-Base interactions energy: -428.421 where: short stacking energy: -194.489 Base-Backbone interact. energy: 2.475 local terms energy: -250.725508 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -67.780 flat angles C4'-P-C4' energy: -49.583 flat angles P-C4'-P energy: -32.662 tors. eta vs tors. theta energy: -42.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -473.654236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.654236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.654236 (E_RNA) where: Base-Base interactions energy: -254.474 where: short stacking energy: -138.647 Base-Backbone interact. energy: 1.834 local terms energy: -221.014443 where: bonds (distance) C4'-P energy: -47.868 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -55.352 flat angles P-C4'-P energy: -33.700 tors. eta vs tors. theta energy: -22.096 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: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -307.112030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.112030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.112030 (E_RNA) where: Base-Base interactions energy: -118.243 where: short stacking energy: -80.629 Base-Backbone interact. energy: -0.188 local terms energy: -188.680718 where: bonds (distance) C4'-P energy: -57.611 bonds (distance) P-C4' energy: -64.570 flat angles C4'-P-C4' energy: -39.889 flat angles P-C4'-P energy: -26.682 tors. eta vs tors. theta energy: 0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -282.445832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.445832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.445832 (E_RNA) where: Base-Base interactions energy: -103.191 where: short stacking energy: -91.142 Base-Backbone interact. energy: -0.949 local terms energy: -178.305592 where: bonds (distance) C4'-P energy: -46.852 bonds (distance) P-C4' energy: -57.606 flat angles C4'-P-C4' energy: -55.763 flat angles P-C4'-P energy: -21.138 tors. eta vs tors. theta energy: 3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1099.441846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.441846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.441846 (E_RNA) where: Base-Base interactions energy: -742.795 where: short stacking energy: -335.944 Base-Backbone interact. energy: -2.186 local terms energy: -354.461323 where: bonds (distance) C4'-P energy: -65.180 bonds (distance) P-C4' energy: -67.239 flat angles C4'-P-C4' energy: -76.801 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: -93.132 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: 426 Temperature: 0.950000 Total energy: -1059.058826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.058826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.058826 (E_RNA) where: Base-Base interactions energy: -726.407 where: short stacking energy: -324.063 Base-Backbone interact. energy: 2.967 local terms energy: -335.618784 where: bonds (distance) C4'-P energy: -53.307 bonds (distance) P-C4' energy: -65.619 flat angles C4'-P-C4' energy: -69.528 flat angles P-C4'-P energy: -48.345 tors. eta vs tors. theta energy: -98.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -974.743791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.743791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.743791 (E_RNA) where: Base-Base interactions energy: -663.294 where: short stacking energy: -277.433 Base-Backbone interact. energy: -2.339 local terms energy: -309.110258 where: bonds (distance) C4'-P energy: -59.915 bonds (distance) P-C4' energy: -59.778 flat angles C4'-P-C4' energy: -61.283 flat angles P-C4'-P energy: -43.577 tors. eta vs tors. theta energy: -84.557 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: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -926.888382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.888382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.888382 (E_RNA) where: Base-Base interactions energy: -619.692 where: short stacking energy: -286.572 Base-Backbone interact. energy: 2.470 local terms energy: -309.666687 where: bonds (distance) C4'-P energy: -54.619 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -64.799 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -78.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -843.991935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.991935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.991935 (E_RNA) where: Base-Base interactions energy: -558.524 where: short stacking energy: -258.429 Base-Backbone interact. energy: 0.850 local terms energy: -286.318034 where: bonds (distance) C4'-P energy: -58.436 bonds (distance) P-C4' energy: -60.279 flat angles C4'-P-C4' energy: -59.057 flat angles P-C4'-P energy: -41.760 tors. eta vs tors. theta energy: -66.786 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: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -787.246566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.246566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.246566 (E_RNA) where: Base-Base interactions energy: -506.916 where: short stacking energy: -226.385 Base-Backbone interact. energy: -0.320 local terms energy: -280.010788 where: bonds (distance) C4'-P energy: -57.642 bonds (distance) P-C4' energy: -61.836 flat angles C4'-P-C4' energy: -65.197 flat angles P-C4'-P energy: -39.275 tors. eta vs tors. theta energy: -56.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -675.263051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.263051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.263051 (E_RNA) where: Base-Base interactions energy: -444.479 where: short stacking energy: -173.671 Base-Backbone interact. energy: -0.706 local terms energy: -230.078045 where: bonds (distance) C4'-P energy: -57.138 bonds (distance) P-C4' energy: -60.451 flat angles C4'-P-C4' energy: -46.024 flat angles P-C4'-P energy: -29.602 tors. eta vs tors. theta energy: -36.863 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: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -417.019241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.019241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.019241 (E_RNA) where: Base-Base interactions energy: -202.509 where: short stacking energy: -123.622 Base-Backbone interact. energy: 2.572 local terms energy: -217.082206 where: bonds (distance) C4'-P energy: -54.779 bonds (distance) P-C4' energy: -61.745 flat angles C4'-P-C4' energy: -62.076 flat angles P-C4'-P energy: -32.014 tors. eta vs tors. theta energy: -6.469 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: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -309.152637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.152637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.152637 (E_RNA) where: Base-Base interactions energy: -135.387 where: short stacking energy: -95.540 Base-Backbone interact. energy: -1.285 local terms energy: -172.480806 where: bonds (distance) C4'-P energy: -51.745 bonds (distance) P-C4' energy: -55.866 flat angles C4'-P-C4' energy: -36.643 flat angles P-C4'-P energy: -33.620 tors. eta vs tors. theta energy: 5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -298.742098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.742098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.742098 (E_RNA) where: Base-Base interactions energy: -127.861 where: short stacking energy: -96.505 Base-Backbone interact. energy: 3.265 local terms energy: -174.145948 where: bonds (distance) C4'-P energy: -37.213 bonds (distance) P-C4' energy: -55.958 flat angles C4'-P-C4' energy: -43.454 flat angles P-C4'-P energy: -30.839 tors. eta vs tors. theta energy: -6.681 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: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1091.470597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.470597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.470597 (E_RNA) where: Base-Base interactions energy: -727.558 where: short stacking energy: -311.560 Base-Backbone interact. energy: -0.547 local terms energy: -363.365416 where: bonds (distance) C4'-P energy: -72.091 bonds (distance) P-C4' energy: -71.222 flat angles C4'-P-C4' energy: -73.334 flat angles P-C4'-P energy: -52.390 tors. eta vs tors. theta energy: -94.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1059.389778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.389778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.389778 (E_RNA) where: Base-Base interactions energy: -728.973 where: short stacking energy: -316.579 Base-Backbone interact. energy: -1.494 local terms energy: -328.922446 where: bonds (distance) C4'-P energy: -61.419 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -68.718 flat angles P-C4'-P energy: -43.173 tors. eta vs tors. theta energy: -94.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -961.775700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.775700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.775700 (E_RNA) where: Base-Base interactions energy: -649.950 where: short stacking energy: -285.383 Base-Backbone interact. energy: -0.626 local terms energy: -311.200079 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -68.452 flat angles C4'-P-C4' energy: -54.354 flat angles P-C4'-P energy: -48.219 tors. eta vs tors. theta energy: -78.845 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: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -911.782025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.782025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.782025 (E_RNA) where: Base-Base interactions energy: -601.631 where: short stacking energy: -251.902 Base-Backbone interact. energy: -1.945 local terms energy: -308.206649 where: bonds (distance) C4'-P energy: -55.210 bonds (distance) P-C4' energy: -70.463 flat angles C4'-P-C4' energy: -63.113 flat angles P-C4'-P energy: -37.995 tors. eta vs tors. theta energy: -81.426 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: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -836.771106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.771106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.771106 (E_RNA) where: Base-Base interactions energy: -552.177 where: short stacking energy: -253.377 Base-Backbone interact. energy: -0.991 local terms energy: -283.602795 where: bonds (distance) C4'-P energy: -53.833 bonds (distance) P-C4' energy: -60.144 flat angles C4'-P-C4' energy: -63.174 flat angles P-C4'-P energy: -40.558 tors. eta vs tors. theta energy: -65.894 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: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -705.814952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.814952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.814952 (E_RNA) where: Base-Base interactions energy: -428.111 where: short stacking energy: -193.017 Base-Backbone interact. energy: -0.647 local terms energy: -277.057406 where: bonds (distance) C4'-P energy: -56.952 bonds (distance) P-C4' energy: -59.114 flat angles C4'-P-C4' energy: -65.096 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -45.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -727.074384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.074384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.074384 (E_RNA) where: Base-Base interactions energy: -473.659 where: short stacking energy: -219.944 Base-Backbone interact. energy: 0.871 local terms energy: -254.286655 where: bonds (distance) C4'-P energy: -54.718 bonds (distance) P-C4' energy: -53.555 flat angles C4'-P-C4' energy: -52.154 flat angles P-C4'-P energy: -36.314 tors. eta vs tors. theta energy: -57.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -461.226887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.226887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.226887 (E_RNA) where: Base-Base interactions energy: -250.620 where: short stacking energy: -141.318 Base-Backbone interact. energy: -1.046 local terms energy: -209.561201 where: bonds (distance) C4'-P energy: -55.221 bonds (distance) P-C4' energy: -58.525 flat angles C4'-P-C4' energy: -45.178 flat angles P-C4'-P energy: -31.111 tors. eta vs tors. theta energy: -19.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -296.161135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.161135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.161135 (E_RNA) where: Base-Base interactions energy: -93.436 where: short stacking energy: -85.669 Base-Backbone interact. energy: -0.989 local terms energy: -201.736045 where: bonds (distance) C4'-P energy: -57.401 bonds (distance) P-C4' energy: -66.659 flat angles C4'-P-C4' energy: -40.117 flat angles P-C4'-P energy: -40.305 tors. eta vs tors. theta energy: 2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -277.304759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.304759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.304759 (E_RNA) where: Base-Base interactions energy: -93.241 where: short stacking energy: -72.686 Base-Backbone interact. energy: 0.931 local terms energy: -184.994808 where: bonds (distance) C4'-P energy: -37.262 bonds (distance) P-C4' energy: -57.504 flat angles C4'-P-C4' energy: -66.461 flat angles P-C4'-P energy: -30.517 tors. eta vs tors. theta energy: 6.750 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: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1082.371488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.371488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.371488 (E_RNA) where: Base-Base interactions energy: -743.459 where: short stacking energy: -342.507 Base-Backbone interact. energy: -1.986 local terms energy: -336.926769 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -73.677 flat angles P-C4'-P energy: -50.059 tors. eta vs tors. theta energy: -92.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1059.718611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.718611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.718611 (E_RNA) where: Base-Base interactions energy: -743.434 where: short stacking energy: -336.112 Base-Backbone interact. energy: -0.627 local terms energy: -315.657939 where: bonds (distance) C4'-P energy: -61.343 bonds (distance) P-C4' energy: -49.413 flat angles C4'-P-C4' energy: -73.428 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -89.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -926.447851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.447851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.447851 (E_RNA) where: Base-Base interactions energy: -613.448 where: short stacking energy: -282.038 Base-Backbone interact. energy: -0.885 local terms energy: -312.115309 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -65.773 flat angles C4'-P-C4' energy: -64.328 flat angles P-C4'-P energy: -39.301 tors. eta vs tors. theta energy: -83.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -938.936423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.936423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.936423 (E_RNA) where: Base-Base interactions energy: -625.894 where: short stacking energy: -254.504 Base-Backbone interact. energy: -1.564 local terms energy: -311.478810 where: bonds (distance) C4'-P energy: -52.848 bonds (distance) P-C4' energy: -65.680 flat angles C4'-P-C4' energy: -73.875 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -74.549 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: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -790.117021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.117021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.117021 (E_RNA) where: Base-Base interactions energy: -533.662 where: short stacking energy: -229.939 Base-Backbone interact. energy: -0.887 local terms energy: -255.567481 where: bonds (distance) C4'-P energy: -57.789 bonds (distance) P-C4' energy: -60.685 flat angles C4'-P-C4' energy: -48.016 flat angles P-C4'-P energy: -32.607 tors. eta vs tors. theta energy: -56.470 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: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -717.541062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.541062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.541062 (E_RNA) where: Base-Base interactions energy: -440.793 where: short stacking energy: -182.061 Base-Backbone interact. energy: -0.871 local terms energy: -275.876863 where: bonds (distance) C4'-P energy: -58.798 bonds (distance) P-C4' energy: -64.896 flat angles C4'-P-C4' energy: -67.543 flat angles P-C4'-P energy: -33.954 tors. eta vs tors. theta energy: -50.685 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: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -748.097537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.097537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.097537 (E_RNA) where: Base-Base interactions energy: -487.918 where: short stacking energy: -232.560 Base-Backbone interact. energy: 2.026 local terms energy: -262.205944 where: bonds (distance) C4'-P energy: -52.488 bonds (distance) P-C4' energy: -54.460 flat angles C4'-P-C4' energy: -54.899 flat angles P-C4'-P energy: -38.708 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: 8, replica: 8 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -412.980678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.980678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.980678 (E_RNA) where: Base-Base interactions energy: -201.724 where: short stacking energy: -104.313 Base-Backbone interact. energy: 0.813 local terms energy: -212.069679 where: bonds (distance) C4'-P energy: -48.156 bonds (distance) P-C4' energy: -63.361 flat angles C4'-P-C4' energy: -44.786 flat angles P-C4'-P energy: -39.181 tors. eta vs tors. theta energy: -16.585 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: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -298.318490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.318490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.318490 (E_RNA) where: Base-Base interactions energy: -103.403 where: short stacking energy: -71.014 Base-Backbone interact. energy: -1.535 local terms energy: -193.379575 where: bonds (distance) C4'-P energy: -46.131 bonds (distance) P-C4' energy: -71.079 flat angles C4'-P-C4' energy: -48.175 flat angles P-C4'-P energy: -35.480 tors. eta vs tors. theta energy: 7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -303.061036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.061036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.061036 (E_RNA) where: Base-Base interactions energy: -130.545 where: short stacking energy: -71.069 Base-Backbone interact. energy: 0.270 local terms energy: -172.786423 where: bonds (distance) C4'-P energy: -43.498 bonds (distance) P-C4' energy: -61.540 flat angles C4'-P-C4' energy: -37.693 flat angles P-C4'-P energy: -33.347 tors. eta vs tors. theta energy: 3.292 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: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1073.768364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.768364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.768364 (E_RNA) where: Base-Base interactions energy: -730.529 where: short stacking energy: -326.947 Base-Backbone interact. energy: -0.940 local terms energy: -342.298589 where: bonds (distance) C4'-P energy: -66.286 bonds (distance) P-C4' energy: -61.295 flat angles C4'-P-C4' energy: -71.105 flat angles P-C4'-P energy: -52.549 tors. eta vs tors. theta energy: -91.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1034.508669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.508669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.508669 (E_RNA) where: Base-Base interactions energy: -707.572 where: short stacking energy: -324.111 Base-Backbone interact. energy: -1.894 local terms energy: -325.042417 where: bonds (distance) C4'-P energy: -68.646 bonds (distance) P-C4' energy: -54.366 flat angles C4'-P-C4' energy: -64.944 flat angles P-C4'-P energy: -41.056 tors. eta vs tors. theta energy: -96.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -934.035426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.035426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.035426 (E_RNA) where: Base-Base interactions energy: -622.222 where: short stacking energy: -287.495 Base-Backbone interact. energy: 1.630 local terms energy: -313.443151 where: bonds (distance) C4'-P energy: -52.431 bonds (distance) P-C4' energy: -64.154 flat angles C4'-P-C4' energy: -67.260 flat angles P-C4'-P energy: -45.722 tors. eta vs tors. theta energy: -83.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -944.064242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.064242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.064242 (E_RNA) where: Base-Base interactions energy: -653.161 where: short stacking energy: -274.041 Base-Backbone interact. energy: -0.498 local terms energy: -290.405352 where: bonds (distance) C4'-P energy: -50.184 bonds (distance) P-C4' energy: -55.217 flat angles C4'-P-C4' energy: -67.271 flat angles P-C4'-P energy: -47.705 tors. eta vs tors. theta energy: -70.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -774.055210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.055210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.055210 (E_RNA) where: Base-Base interactions energy: -500.769 where: short stacking energy: -210.346 Base-Backbone interact. energy: -0.619 local terms energy: -272.667489 where: bonds (distance) C4'-P energy: -53.643 bonds (distance) P-C4' energy: -63.547 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -40.827 tors. eta vs tors. theta energy: -47.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -718.505295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.505295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.505295 (E_RNA) where: Base-Base interactions energy: -478.632 where: short stacking energy: -200.858 Base-Backbone interact. energy: -0.888 local terms energy: -238.984563 where: bonds (distance) C4'-P energy: -47.616 bonds (distance) P-C4' energy: -59.491 flat angles C4'-P-C4' energy: -48.348 flat angles P-C4'-P energy: -40.672 tors. eta vs tors. theta energy: -42.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -728.804576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.804576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.804576 (E_RNA) where: Base-Base interactions energy: -474.429 where: short stacking energy: -213.474 Base-Backbone interact. energy: -1.591 local terms energy: -252.784794 where: bonds (distance) C4'-P energy: -49.016 bonds (distance) P-C4' energy: -63.920 flat angles C4'-P-C4' energy: -47.070 flat angles P-C4'-P energy: -42.069 tors. eta vs tors. theta energy: -50.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -442.077240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.077240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.077240 (E_RNA) where: Base-Base interactions energy: -251.170 where: short stacking energy: -142.584 Base-Backbone interact. energy: -1.044 local terms energy: -189.863454 where: bonds (distance) C4'-P energy: -46.345 bonds (distance) P-C4' energy: -53.334 flat angles C4'-P-C4' energy: -37.832 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: -13.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -281.828662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.828662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.828662 (E_RNA) where: Base-Base interactions energy: -95.109 where: short stacking energy: -81.355 Base-Backbone interact. energy: 1.604 local terms energy: -188.323120 where: bonds (distance) C4'-P energy: -55.248 bonds (distance) P-C4' energy: -56.606 flat angles C4'-P-C4' energy: -47.227 flat angles P-C4'-P energy: -29.081 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -291.195952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.195952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.195952 (E_RNA) where: Base-Base interactions energy: -126.091 where: short stacking energy: -95.877 Base-Backbone interact. energy: 0.358 local terms energy: -165.463367 where: bonds (distance) C4'-P energy: -52.910 bonds (distance) P-C4' energy: -45.356 flat angles C4'-P-C4' energy: -47.818 flat angles P-C4'-P energy: -28.348 tors. eta vs tors. theta energy: 8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1090.228077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.228077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.228077 (E_RNA) where: Base-Base interactions energy: -741.152 where: short stacking energy: -331.373 Base-Backbone interact. energy: 0.133 local terms energy: -349.209621 where: bonds (distance) C4'-P energy: -62.257 bonds (distance) P-C4' energy: -62.149 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: -104.074 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: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1040.570089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.570089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.570089 (E_RNA) where: Base-Base interactions energy: -719.881 where: short stacking energy: -306.466 Base-Backbone interact. energy: -1.051 local terms energy: -319.638476 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -57.174 flat angles C4'-P-C4' energy: -70.806 flat angles P-C4'-P energy: -39.085 tors. eta vs tors. theta energy: -89.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -952.751041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.751041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.751041 (E_RNA) where: Base-Base interactions energy: -620.507 where: short stacking energy: -272.021 Base-Backbone interact. energy: -1.680 local terms energy: -330.563468 where: bonds (distance) C4'-P energy: -67.953 bonds (distance) P-C4' energy: -73.614 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -43.575 tors. eta vs tors. theta energy: -79.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -937.180692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.180692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.180692 (E_RNA) where: Base-Base interactions energy: -621.386 where: short stacking energy: -294.009 Base-Backbone interact. energy: -0.403 local terms energy: -315.391900 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -45.136 tors. eta vs tors. theta energy: -81.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -831.180135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.180135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.180135 (E_RNA) where: Base-Base interactions energy: -541.041 where: short stacking energy: -251.084 Base-Backbone interact. energy: -1.227 local terms energy: -288.911975 where: bonds (distance) C4'-P energy: -56.745 bonds (distance) P-C4' energy: -58.511 flat angles C4'-P-C4' energy: -70.226 flat angles P-C4'-P energy: -34.926 tors. eta vs tors. theta energy: -68.504 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: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -721.140873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.140873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.140873 (E_RNA) where: Base-Base interactions energy: -463.144 where: short stacking energy: -211.220 Base-Backbone interact. energy: -0.757 local terms energy: -257.240059 where: bonds (distance) C4'-P energy: -50.742 bonds (distance) P-C4' energy: -59.246 flat angles C4'-P-C4' energy: -64.840 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -44.828 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: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -768.017616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.017616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.017616 (E_RNA) where: Base-Base interactions energy: -485.191 where: short stacking energy: -223.335 Base-Backbone interact. energy: -1.509 local terms energy: -281.317547 where: bonds (distance) C4'-P energy: -56.639 bonds (distance) P-C4' energy: -50.871 flat angles C4'-P-C4' energy: -68.130 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -60.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -429.166601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.166601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.166601 (E_RNA) where: Base-Base interactions energy: -245.308 where: short stacking energy: -144.464 Base-Backbone interact. energy: -0.145 local terms energy: -183.714401 where: bonds (distance) C4'-P energy: -42.845 bonds (distance) P-C4' energy: -60.372 flat angles C4'-P-C4' energy: -44.339 flat angles P-C4'-P energy: -21.909 tors. eta vs tors. theta energy: -14.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -284.619796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.619796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.619796 (E_RNA) where: Base-Base interactions energy: -101.281 where: short stacking energy: -97.326 Base-Backbone interact. energy: -0.101 local terms energy: -183.237075 where: bonds (distance) C4'-P energy: -61.343 bonds (distance) P-C4' energy: -50.709 flat angles C4'-P-C4' energy: -33.946 flat angles P-C4'-P energy: -37.808 tors. eta vs tors. theta energy: 0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -270.592675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.592675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.592675 (E_RNA) where: Base-Base interactions energy: -89.224 where: short stacking energy: -77.438 Base-Backbone interact. energy: -0.101 local terms energy: -181.267241 where: bonds (distance) C4'-P energy: -51.233 bonds (distance) P-C4' energy: -55.302 flat angles C4'-P-C4' energy: -54.408 flat angles P-C4'-P energy: -25.119 tors. eta vs tors. theta energy: 4.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1068.894121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.894121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.894121 (E_RNA) where: Base-Base interactions energy: -734.579 where: short stacking energy: -305.643 Base-Backbone interact. energy: -2.432 local terms energy: -331.882947 where: bonds (distance) C4'-P energy: -52.242 bonds (distance) P-C4' energy: -61.095 flat angles C4'-P-C4' energy: -69.827 flat angles P-C4'-P energy: -51.711 tors. eta vs tors. theta energy: -97.008 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: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1037.849422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.849422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.849422 (E_RNA) where: Base-Base interactions energy: -706.500 where: short stacking energy: -319.396 Base-Backbone interact. energy: 0.182 local terms energy: -331.531066 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -61.578 flat angles C4'-P-C4' energy: -74.349 flat angles P-C4'-P energy: -42.697 tors. eta vs tors. theta energy: -91.636 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: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -955.675625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.675625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.675625 (E_RNA) where: Base-Base interactions energy: -661.258 where: short stacking energy: -283.523 Base-Backbone interact. energy: -1.209 local terms energy: -293.208763 where: bonds (distance) C4'-P energy: -49.387 bonds (distance) P-C4' energy: -52.765 flat angles C4'-P-C4' energy: -67.339 flat angles P-C4'-P energy: -36.069 tors. eta vs tors. theta energy: -87.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -948.397464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.397464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.397464 (E_RNA) where: Base-Base interactions energy: -638.111 where: short stacking energy: -277.260 Base-Backbone interact. energy: -0.391 local terms energy: -309.895660 where: bonds (distance) C4'-P energy: -59.646 bonds (distance) P-C4' energy: -57.533 flat angles C4'-P-C4' energy: -65.698 flat angles P-C4'-P energy: -42.691 tors. eta vs tors. theta energy: -84.328 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: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -839.975542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.975542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.975542 (E_RNA) where: Base-Base interactions energy: -542.453 where: short stacking energy: -230.821 Base-Backbone interact. energy: 0.184 local terms energy: -297.707143 where: bonds (distance) C4'-P energy: -69.747 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -58.393 flat angles P-C4'-P energy: -42.807 tors. eta vs tors. theta energy: -59.573 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: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -813.163587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.163587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.163587 (E_RNA) where: Base-Base interactions energy: -512.020 where: short stacking energy: -242.184 Base-Backbone interact. energy: -0.755 local terms energy: -300.388023 where: bonds (distance) C4'-P energy: -54.401 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -66.052 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -74.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -713.962343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.962343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.962343 (E_RNA) where: Base-Base interactions energy: -461.822 where: short stacking energy: -194.129 Base-Backbone interact. energy: 3.128 local terms energy: -255.268510 where: bonds (distance) C4'-P energy: -43.876 bonds (distance) P-C4' energy: -51.856 flat angles C4'-P-C4' energy: -64.677 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: -49.564 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: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -481.046100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.046100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.046100 (E_RNA) where: Base-Base interactions energy: -257.224 where: short stacking energy: -124.730 Base-Backbone interact. energy: -0.546 local terms energy: -223.275899 where: bonds (distance) C4'-P energy: -52.499 bonds (distance) P-C4' energy: -58.412 flat angles C4'-P-C4' energy: -54.727 flat angles P-C4'-P energy: -40.112 tors. eta vs tors. theta energy: -17.526 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: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -293.483550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.483550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.483550 (E_RNA) where: Base-Base interactions energy: -111.970 where: short stacking energy: -85.320 Base-Backbone interact. energy: 1.230 local terms energy: -182.743757 where: bonds (distance) C4'-P energy: -51.246 bonds (distance) P-C4' energy: -53.840 flat angles C4'-P-C4' energy: -36.613 flat angles P-C4'-P energy: -32.511 tors. eta vs tors. theta energy: -8.533 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: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -272.467140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.467140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.467140 (E_RNA) where: Base-Base interactions energy: -115.088 where: short stacking energy: -81.472 Base-Backbone interact. energy: 0.321 local terms energy: -157.699540 where: bonds (distance) C4'-P energy: -46.996 bonds (distance) P-C4' energy: -51.416 flat angles C4'-P-C4' energy: -37.429 flat angles P-C4'-P energy: -30.279 tors. eta vs tors. theta energy: 8.420 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: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1074.672868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.672868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.672868 (E_RNA) where: Base-Base interactions energy: -729.836 where: short stacking energy: -317.834 Base-Backbone interact. energy: -0.670 local terms energy: -344.166809 where: bonds (distance) C4'-P energy: -65.895 bonds (distance) P-C4' energy: -59.690 flat angles C4'-P-C4' energy: -75.782 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -91.754 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: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1037.200378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.200378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.200378 (E_RNA) where: Base-Base interactions energy: -704.482 where: short stacking energy: -313.495 Base-Backbone interact. energy: -2.420 local terms energy: -330.298313 where: bonds (distance) C4'-P energy: -48.775 bonds (distance) P-C4' energy: -67.924 flat angles C4'-P-C4' energy: -72.378 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -92.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -953.826853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.826853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.826853 (E_RNA) where: Base-Base interactions energy: -639.807 where: short stacking energy: -261.718 Base-Backbone interact. energy: -2.082 local terms energy: -311.937451 where: bonds (distance) C4'-P energy: -67.363 bonds (distance) P-C4' energy: -69.174 flat angles C4'-P-C4' energy: -69.737 flat angles P-C4'-P energy: -42.712 tors. eta vs tors. theta energy: -62.951 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: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -931.037902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.037902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.037902 (E_RNA) where: Base-Base interactions energy: -628.886 where: short stacking energy: -285.561 Base-Backbone interact. energy: 0.246 local terms energy: -302.397624 where: bonds (distance) C4'-P energy: -53.051 bonds (distance) P-C4' energy: -48.669 flat angles C4'-P-C4' energy: -75.165 flat angles P-C4'-P energy: -40.957 tors. eta vs tors. theta energy: -84.555 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: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -822.435612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.435612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.435612 (E_RNA) where: Base-Base interactions energy: -525.194 where: short stacking energy: -239.106 Base-Backbone interact. energy: -0.571 local terms energy: -296.670621 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -57.015 flat angles C4'-P-C4' energy: -62.557 flat angles P-C4'-P energy: -48.105 tors. eta vs tors. theta energy: -69.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -810.894816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.894816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.894816 (E_RNA) where: Base-Base interactions energy: -540.206 where: short stacking energy: -239.979 Base-Backbone interact. energy: -0.766 local terms energy: -269.921962 where: bonds (distance) C4'-P energy: -50.768 bonds (distance) P-C4' energy: -57.198 flat angles C4'-P-C4' energy: -62.623 flat angles P-C4'-P energy: -31.163 tors. eta vs tors. theta energy: -68.170 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: 432 Temperature: 1.200000 Total energy: -689.560156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.560156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.560156 (E_RNA) where: Base-Base interactions energy: -465.532 where: short stacking energy: -189.440 Base-Backbone interact. energy: -0.631 local terms energy: -223.396843 where: bonds (distance) C4'-P energy: -45.145 bonds (distance) P-C4' energy: -58.622 flat angles C4'-P-C4' energy: -50.948 flat angles P-C4'-P energy: -31.439 tors. eta vs tors. theta energy: -37.243 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: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -471.199474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.199474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.199474 (E_RNA) where: Base-Base interactions energy: -255.677 where: short stacking energy: -145.123 Base-Backbone interact. energy: -1.384 local terms energy: -214.138785 where: bonds (distance) C4'-P energy: -55.606 bonds (distance) P-C4' energy: -53.612 flat angles C4'-P-C4' energy: -49.928 flat angles P-C4'-P energy: -28.848 tors. eta vs tors. theta energy: -26.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -281.575920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.575920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.575920 (E_RNA) where: Base-Base interactions energy: -107.223 where: short stacking energy: -84.303 Base-Backbone interact. energy: -1.245 local terms energy: -173.108418 where: bonds (distance) C4'-P energy: -52.093 bonds (distance) P-C4' energy: -50.842 flat angles C4'-P-C4' energy: -39.378 flat angles P-C4'-P energy: -31.507 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -278.481824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.481824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.481824 (E_RNA) where: Base-Base interactions energy: -104.908 where: short stacking energy: -102.750 Base-Backbone interact. energy: 1.361 local terms energy: -174.935336 where: bonds (distance) C4'-P energy: -61.417 bonds (distance) P-C4' energy: -51.277 flat angles C4'-P-C4' energy: -47.288 flat angles P-C4'-P energy: -14.729 tors. eta vs tors. theta energy: -0.224 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: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1057.293511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.293511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.293511 (E_RNA) where: Base-Base interactions energy: -716.273 where: short stacking energy: -313.795 Base-Backbone interact. energy: -3.480 local terms energy: -337.540442 where: bonds (distance) C4'-P energy: -66.225 bonds (distance) P-C4' energy: -53.640 flat angles C4'-P-C4' energy: -71.880 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: -94.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1049.819184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.819184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.819184 (E_RNA) where: Base-Base interactions energy: -726.738 where: short stacking energy: -312.087 Base-Backbone interact. energy: 0.149 local terms energy: -323.230222 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -59.583 flat angles C4'-P-C4' energy: -60.703 flat angles P-C4'-P energy: -55.812 tors. eta vs tors. theta energy: -87.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -959.832152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.832152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.832152 (E_RNA) where: Base-Base interactions energy: -657.196 where: short stacking energy: -273.208 Base-Backbone interact. energy: -0.163 local terms energy: -302.473510 where: bonds (distance) C4'-P energy: -50.571 bonds (distance) P-C4' energy: -61.182 flat angles C4'-P-C4' energy: -67.893 flat angles P-C4'-P energy: -47.701 tors. eta vs tors. theta energy: -75.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -959.482795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.482795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.482795 (E_RNA) where: Base-Base interactions energy: -641.945 where: short stacking energy: -313.598 Base-Backbone interact. energy: -1.694 local terms energy: -315.844106 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -60.367 flat angles C4'-P-C4' energy: -69.164 flat angles P-C4'-P energy: -35.839 tors. eta vs tors. theta energy: -92.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -834.295113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.295113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.295113 (E_RNA) where: Base-Base interactions energy: -530.775 where: short stacking energy: -264.911 Base-Backbone interact. energy: -0.832 local terms energy: -302.687687 where: bonds (distance) C4'-P energy: -64.202 bonds (distance) P-C4' energy: -61.685 flat angles C4'-P-C4' energy: -60.254 flat angles P-C4'-P energy: -43.414 tors. eta vs tors. theta energy: -73.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -828.881993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.881993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.881993 (E_RNA) where: Base-Base interactions energy: -553.244 where: short stacking energy: -261.667 Base-Backbone interact. energy: -1.342 local terms energy: -274.296055 where: bonds (distance) C4'-P energy: -51.939 bonds (distance) P-C4' energy: -46.270 flat angles C4'-P-C4' energy: -66.762 flat angles P-C4'-P energy: -42.701 tors. eta vs tors. theta energy: -66.624 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: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -686.258993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.258993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.258993 (E_RNA) where: Base-Base interactions energy: -436.372 where: short stacking energy: -190.605 Base-Backbone interact. energy: -0.213 local terms energy: -249.674203 where: bonds (distance) C4'-P energy: -45.672 bonds (distance) P-C4' energy: -61.992 flat angles C4'-P-C4' energy: -63.403 flat angles P-C4'-P energy: -43.616 tors. eta vs tors. theta energy: -34.991 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: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -450.485320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.485320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.485320 (E_RNA) where: Base-Base interactions energy: -245.714 where: short stacking energy: -136.934 Base-Backbone interact. energy: -1.610 local terms energy: -203.161528 where: bonds (distance) C4'-P energy: -43.740 bonds (distance) P-C4' energy: -60.771 flat angles C4'-P-C4' energy: -49.821 flat angles P-C4'-P energy: -40.176 tors. eta vs tors. theta energy: -8.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -300.226538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.226538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.226538 (E_RNA) where: Base-Base interactions energy: -92.672 where: short stacking energy: -85.398 Base-Backbone interact. energy: -0.643 local terms energy: -206.911075 where: bonds (distance) C4'-P energy: -56.733 bonds (distance) P-C4' energy: -57.669 flat angles C4'-P-C4' energy: -56.370 flat angles P-C4'-P energy: -37.847 tors. eta vs tors. theta energy: 1.708 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: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -305.363571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.363571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.363571 (E_RNA) where: Base-Base interactions energy: -129.730 where: short stacking energy: -100.946 Base-Backbone interact. energy: -0.789 local terms energy: -174.844414 where: bonds (distance) C4'-P energy: -49.671 bonds (distance) P-C4' energy: -44.554 flat angles C4'-P-C4' energy: -53.474 flat angles P-C4'-P energy: -26.397 tors. eta vs tors. theta energy: -0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1058.289445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.289445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.289445 (E_RNA) where: Base-Base interactions energy: -725.903 where: short stacking energy: -319.896 Base-Backbone interact. energy: -1.296 local terms energy: -331.089990 where: bonds (distance) C4'-P energy: -48.864 bonds (distance) P-C4' energy: -68.750 flat angles C4'-P-C4' energy: -74.933 flat angles P-C4'-P energy: -43.918 tors. eta vs tors. theta energy: -94.625 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: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1061.135195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.135195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.135195 (E_RNA) where: Base-Base interactions energy: -717.237 where: short stacking energy: -326.846 Base-Backbone interact. energy: -0.153 local terms energy: -343.744407 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -61.982 flat angles C4'-P-C4' energy: -70.366 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -97.322 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: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -964.893282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.893282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.893282 (E_RNA) where: Base-Base interactions energy: -640.561 where: short stacking energy: -284.106 Base-Backbone interact. energy: -0.202 local terms energy: -324.130477 where: bonds (distance) C4'-P energy: -56.764 bonds (distance) P-C4' energy: -64.076 flat angles C4'-P-C4' energy: -68.490 flat angles P-C4'-P energy: -52.723 tors. eta vs tors. theta energy: -82.079 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: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -933.317020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.317020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.317020 (E_RNA) where: Base-Base interactions energy: -636.348 where: short stacking energy: -258.606 Base-Backbone interact. energy: -0.929 local terms energy: -296.040122 where: bonds (distance) C4'-P energy: -57.389 bonds (distance) P-C4' energy: -59.571 flat angles C4'-P-C4' energy: -72.521 flat angles P-C4'-P energy: -39.613 tors. eta vs tors. theta energy: -66.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -824.033850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.033850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.033850 (E_RNA) where: Base-Base interactions energy: -544.353 where: short stacking energy: -249.275 Base-Backbone interact. energy: -1.507 local terms energy: -278.174067 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -61.875 flat angles C4'-P-C4' energy: -63.163 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -63.930 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: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -819.801464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.801464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.801464 (E_RNA) where: Base-Base interactions energy: -528.560 where: short stacking energy: -241.233 Base-Backbone interact. energy: 2.013 local terms energy: -293.254134 where: bonds (distance) C4'-P energy: -58.007 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -63.001 flat angles P-C4'-P energy: -49.367 tors. eta vs tors. theta energy: -63.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -651.753078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.753078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.753078 (E_RNA) where: Base-Base interactions energy: -411.003 where: short stacking energy: -176.113 Base-Backbone interact. energy: -0.513 local terms energy: -240.237012 where: bonds (distance) C4'-P energy: -53.688 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -63.484 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -26.004 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: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -514.538985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.538985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.538985 (E_RNA) where: Base-Base interactions energy: -295.723 where: short stacking energy: -148.701 Base-Backbone interact. energy: -0.988 local terms energy: -217.827875 where: bonds (distance) C4'-P energy: -46.967 bonds (distance) P-C4' energy: -57.860 flat angles C4'-P-C4' energy: -44.257 flat angles P-C4'-P energy: -48.225 tors. eta vs tors. theta energy: -20.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -292.205058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.205058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.205058 (E_RNA) where: Base-Base interactions energy: -113.933 where: short stacking energy: -88.058 Base-Backbone interact. energy: 5.030 local terms energy: -183.302259 where: bonds (distance) C4'-P energy: -54.630 bonds (distance) P-C4' energy: -53.998 flat angles C4'-P-C4' energy: -55.572 flat angles P-C4'-P energy: -24.151 tors. eta vs tors. theta energy: 5.048 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: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -295.053351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.053351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.053351 (E_RNA) where: Base-Base interactions energy: -107.779 where: short stacking energy: -74.391 Base-Backbone interact. energy: -1.436 local terms energy: -185.838940 where: bonds (distance) C4'-P energy: -39.688 bonds (distance) P-C4' energy: -61.305 flat angles C4'-P-C4' energy: -50.550 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: 5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1095.188441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.188441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.188441 (E_RNA) where: Base-Base interactions energy: -758.746 where: short stacking energy: -331.904 Base-Backbone interact. energy: 0.228 local terms energy: -336.670745 where: bonds (distance) C4'-P energy: -67.403 bonds (distance) P-C4' energy: -58.414 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -47.019 tors. eta vs tors. theta energy: -94.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1053.933033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.933033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.933033 (E_RNA) where: Base-Base interactions energy: -706.187 where: short stacking energy: -332.483 Base-Backbone interact. energy: -2.517 local terms energy: -345.229212 where: bonds (distance) C4'-P energy: -53.412 bonds (distance) P-C4' energy: -64.244 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -56.011 tors. eta vs tors. theta energy: -99.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -981.294258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.294258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.294258 (E_RNA) where: Base-Base interactions energy: -656.969 where: short stacking energy: -310.483 Base-Backbone interact. energy: -4.575 local terms energy: -319.750765 where: bonds (distance) C4'-P energy: -65.516 bonds (distance) P-C4' energy: -61.301 flat angles C4'-P-C4' energy: -65.807 flat angles P-C4'-P energy: -41.754 tors. eta vs tors. theta energy: -85.374 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: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -927.802846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.802846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.802846 (E_RNA) where: Base-Base interactions energy: -656.425 where: short stacking energy: -273.821 Base-Backbone interact. energy: -1.159 local terms energy: -270.218734 where: bonds (distance) C4'-P energy: -54.265 bonds (distance) P-C4' energy: -61.414 flat angles C4'-P-C4' energy: -56.097 flat angles P-C4'-P energy: -33.466 tors. eta vs tors. theta energy: -64.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -827.376232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.376232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.376232 (E_RNA) where: Base-Base interactions energy: -531.103 where: short stacking energy: -234.943 Base-Backbone interact. energy: -0.314 local terms energy: -295.959436 where: bonds (distance) C4'-P energy: -58.504 bonds (distance) P-C4' energy: -56.649 flat angles C4'-P-C4' energy: -63.861 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -69.315 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: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -798.237286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.237286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.237286 (E_RNA) where: Base-Base interactions energy: -518.832 where: short stacking energy: -234.490 Base-Backbone interact. energy: -1.159 local terms energy: -278.247130 where: bonds (distance) C4'-P energy: -48.196 bonds (distance) P-C4' energy: -64.666 flat angles C4'-P-C4' energy: -63.487 flat angles P-C4'-P energy: -40.659 tors. eta vs tors. theta energy: -61.240 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: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -650.943924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.943924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.943924 (E_RNA) where: Base-Base interactions energy: -405.230 where: short stacking energy: -182.022 Base-Backbone interact. energy: -0.785 local terms energy: -244.928755 where: bonds (distance) C4'-P energy: -49.759 bonds (distance) P-C4' energy: -56.933 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -39.927 tors. eta vs tors. theta energy: -35.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -453.930697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.930697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.930697 (E_RNA) where: Base-Base interactions energy: -244.305 where: short stacking energy: -143.198 Base-Backbone interact. energy: -0.305 local terms energy: -209.320744 where: bonds (distance) C4'-P energy: -50.717 bonds (distance) P-C4' energy: -64.220 flat angles C4'-P-C4' energy: -44.724 flat angles P-C4'-P energy: -33.328 tors. eta vs tors. theta energy: -16.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -312.287075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.287075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.287075 (E_RNA) where: Base-Base interactions energy: -126.279 where: short stacking energy: -96.323 Base-Backbone interact. energy: -0.635 local terms energy: -185.373184 where: bonds (distance) C4'-P energy: -50.514 bonds (distance) P-C4' energy: -58.545 flat angles C4'-P-C4' energy: -47.123 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: 6.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -296.168188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.168188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.168188 (E_RNA) where: Base-Base interactions energy: -127.520 where: short stacking energy: -70.630 Base-Backbone interact. energy: 6.187 local terms energy: -174.835175 where: bonds (distance) C4'-P energy: -58.060 bonds (distance) P-C4' energy: -49.311 flat angles C4'-P-C4' energy: -46.085 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: 14.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1090.944038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.944038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.944038 (E_RNA) where: Base-Base interactions energy: -754.802 where: short stacking energy: -335.820 Base-Backbone interact. energy: 0.888 local terms energy: -337.030647 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -59.689 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -49.562 tors. eta vs tors. theta energy: -93.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1063.561146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.561146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.561146 (E_RNA) where: Base-Base interactions energy: -712.155 where: short stacking energy: -313.995 Base-Backbone interact. energy: -3.550 local terms energy: -347.856391 where: bonds (distance) C4'-P energy: -74.543 bonds (distance) P-C4' energy: -67.820 flat angles C4'-P-C4' energy: -66.726 flat angles P-C4'-P energy: -40.516 tors. eta vs tors. theta energy: -98.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -999.477674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.477674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.477674 (E_RNA) where: Base-Base interactions energy: -668.687 where: short stacking energy: -288.319 Base-Backbone interact. energy: -3.397 local terms energy: -327.393658 where: bonds (distance) C4'-P energy: -66.658 bonds (distance) P-C4' energy: -57.901 flat angles C4'-P-C4' energy: -70.003 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: -82.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -916.332034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.332034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.332034 (E_RNA) where: Base-Base interactions energy: -603.343 where: short stacking energy: -262.072 Base-Backbone interact. energy: -1.475 local terms energy: -311.514221 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -72.632 flat angles P-C4'-P energy: -45.303 tors. eta vs tors. theta energy: -73.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -801.348416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.348416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.348416 (E_RNA) where: Base-Base interactions energy: -514.634 where: short stacking energy: -252.335 Base-Backbone interact. energy: -0.584 local terms energy: -286.131018 where: bonds (distance) C4'-P energy: -65.518 bonds (distance) P-C4' energy: -54.999 flat angles C4'-P-C4' energy: -53.261 flat angles P-C4'-P energy: -42.943 tors. eta vs tors. theta energy: -69.410 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: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -818.089014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.089014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.089014 (E_RNA) where: Base-Base interactions energy: -533.715 where: short stacking energy: -247.833 Base-Backbone interact. energy: -1.526 local terms energy: -282.848035 where: bonds (distance) C4'-P energy: -53.675 bonds (distance) P-C4' energy: -59.298 flat angles C4'-P-C4' energy: -57.763 flat angles P-C4'-P energy: -34.573 tors. eta vs tors. theta energy: -77.539 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: 436 Temperature: 1.200000 Total energy: -721.606615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.606615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.606615 (E_RNA) where: Base-Base interactions energy: -462.544 where: short stacking energy: -195.139 Base-Backbone interact. energy: -2.635 local terms energy: -256.427595 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -65.775 flat angles P-C4'-P energy: -43.422 tors. eta vs tors. theta energy: -35.880 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: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -522.726923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.726923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.726923 (E_RNA) where: Base-Base interactions energy: -294.291 where: short stacking energy: -147.830 Base-Backbone interact. energy: -2.052 local terms energy: -226.383898 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -47.789 flat angles C4'-P-C4' energy: -59.652 flat angles P-C4'-P energy: -45.637 tors. eta vs tors. theta energy: -20.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -319.560973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.560973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.560973 (E_RNA) where: Base-Base interactions energy: -141.882 where: short stacking energy: -102.075 Base-Backbone interact. energy: 0.810 local terms energy: -178.488983 where: bonds (distance) C4'-P energy: -37.631 bonds (distance) P-C4' energy: -56.853 flat angles C4'-P-C4' energy: -49.430 flat angles P-C4'-P energy: -24.147 tors. eta vs tors. theta energy: -10.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -283.157452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.157452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.157452 (E_RNA) where: Base-Base interactions energy: -95.773 where: short stacking energy: -68.878 Base-Backbone interact. energy: -1.566 local terms energy: -185.818471 where: bonds (distance) C4'-P energy: -60.929 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -48.313 flat angles P-C4'-P energy: -29.894 tors. eta vs tors. theta energy: 10.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1078.591946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.591946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.591946 (E_RNA) where: Base-Base interactions energy: -753.101 where: short stacking energy: -329.555 Base-Backbone interact. energy: 0.235 local terms energy: -325.726282 where: bonds (distance) C4'-P energy: -59.047 bonds (distance) P-C4' energy: -64.009 flat angles C4'-P-C4' energy: -67.518 flat angles P-C4'-P energy: -44.483 tors. eta vs tors. theta energy: -90.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1083.000143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.000143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.000143 (E_RNA) where: Base-Base interactions energy: -737.436 where: short stacking energy: -327.776 Base-Backbone interact. energy: -1.931 local terms energy: -343.632997 where: bonds (distance) C4'-P energy: -60.851 bonds (distance) P-C4' energy: -68.051 flat angles C4'-P-C4' energy: -72.910 flat angles P-C4'-P energy: -42.658 tors. eta vs tors. theta energy: -99.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -988.086624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.086624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.086624 (E_RNA) where: Base-Base interactions energy: -664.441 where: short stacking energy: -314.421 Base-Backbone interact. energy: -1.363 local terms energy: -322.282643 where: bonds (distance) C4'-P energy: -54.362 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -73.709 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -94.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -910.578521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.578521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.578521 (E_RNA) where: Base-Base interactions energy: -623.478 where: short stacking energy: -252.629 Base-Backbone interact. energy: -1.678 local terms energy: -285.422491 where: bonds (distance) C4'-P energy: -52.687 bonds (distance) P-C4' energy: -67.045 flat angles C4'-P-C4' energy: -59.640 flat angles P-C4'-P energy: -37.709 tors. eta vs tors. theta energy: -68.342 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: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -846.848329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.848329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.848329 (E_RNA) where: Base-Base interactions energy: -547.302 where: short stacking energy: -263.220 Base-Backbone interact. energy: -0.532 local terms energy: -299.014379 where: bonds (distance) C4'-P energy: -65.650 bonds (distance) P-C4' energy: -52.337 flat angles C4'-P-C4' energy: -59.567 flat angles P-C4'-P energy: -39.424 tors. eta vs tors. theta energy: -82.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -788.654272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.654272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.654272 (E_RNA) where: Base-Base interactions energy: -514.553 where: short stacking energy: -243.738 Base-Backbone interact. energy: -1.151 local terms energy: -272.950292 where: bonds (distance) C4'-P energy: -57.335 bonds (distance) P-C4' energy: -55.364 flat angles C4'-P-C4' energy: -67.722 flat angles P-C4'-P energy: -27.865 tors. eta vs tors. theta energy: -64.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -722.214812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.214812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.214812 (E_RNA) where: Base-Base interactions energy: -463.469 where: short stacking energy: -201.845 Base-Backbone interact. energy: -0.894 local terms energy: -257.851995 where: bonds (distance) C4'-P energy: -50.861 bonds (distance) P-C4' energy: -54.944 flat angles C4'-P-C4' energy: -64.563 flat angles P-C4'-P energy: -36.731 tors. eta vs tors. theta energy: -50.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -487.783030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.783030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.783030 (E_RNA) where: Base-Base interactions energy: -280.059 where: short stacking energy: -145.727 Base-Backbone interact. energy: -1.822 local terms energy: -205.902057 where: bonds (distance) C4'-P energy: -44.288 bonds (distance) P-C4' energy: -56.554 flat angles C4'-P-C4' energy: -53.823 flat angles P-C4'-P energy: -30.294 tors. eta vs tors. theta energy: -20.943 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: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -315.881602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.881602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.881602 (E_RNA) where: Base-Base interactions energy: -119.818 where: short stacking energy: -84.424 Base-Backbone interact. energy: 0.119 local terms energy: -196.182585 where: bonds (distance) C4'-P energy: -41.941 bonds (distance) P-C4' energy: -61.428 flat angles C4'-P-C4' energy: -56.156 flat angles P-C4'-P energy: -31.309 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -281.369297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.369297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.369297 (E_RNA) where: Base-Base interactions energy: -126.381 where: short stacking energy: -74.360 Base-Backbone interact. energy: -1.536 local terms energy: -153.451783 where: bonds (distance) C4'-P energy: -54.096 bonds (distance) P-C4' energy: -57.911 flat angles C4'-P-C4' energy: -40.218 flat angles P-C4'-P energy: -16.641 tors. eta vs tors. theta energy: 15.414 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: 1, replica: 9 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1077.700857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.700857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.700857 (E_RNA) where: Base-Base interactions energy: -729.806 where: short stacking energy: -327.147 Base-Backbone interact. energy: -0.707 local terms energy: -347.188017 where: bonds (distance) C4'-P energy: -60.118 bonds (distance) P-C4' energy: -68.302 flat angles C4'-P-C4' energy: -72.702 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -95.019 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: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1068.150750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.150750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.150750 (E_RNA) where: Base-Base interactions energy: -714.460 where: short stacking energy: -324.050 Base-Backbone interact. energy: -1.059 local terms energy: -352.631826 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -76.313 flat angles P-C4'-P energy: -40.639 tors. eta vs tors. theta energy: -103.033 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: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -990.565455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.565455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.565455 (E_RNA) where: Base-Base interactions energy: -655.940 where: short stacking energy: -297.302 Base-Backbone interact. energy: -2.801 local terms energy: -331.823572 where: bonds (distance) C4'-P energy: -57.562 bonds (distance) P-C4' energy: -61.946 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -48.495 tors. eta vs tors. theta energy: -93.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -938.123424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.123424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.123424 (E_RNA) where: Base-Base interactions energy: -650.261 where: short stacking energy: -266.734 Base-Backbone interact. energy: -0.943 local terms energy: -286.919653 where: bonds (distance) C4'-P energy: -57.679 bonds (distance) P-C4' energy: -67.515 flat angles C4'-P-C4' energy: -62.084 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -63.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -806.769644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.769644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.769644 (E_RNA) where: Base-Base interactions energy: -512.010 where: short stacking energy: -229.161 Base-Backbone interact. energy: -1.625 local terms energy: -293.135026 where: bonds (distance) C4'-P energy: -54.411 bonds (distance) P-C4' energy: -66.819 flat angles C4'-P-C4' energy: -62.427 flat angles P-C4'-P energy: -38.562 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: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -800.448866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.448866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.448866 (E_RNA) where: Base-Base interactions energy: -502.317 where: short stacking energy: -244.729 Base-Backbone interact. energy: -1.668 local terms energy: -296.463649 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -62.396 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -70.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -731.303255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.303255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.303255 (E_RNA) where: Base-Base interactions energy: -475.334 where: short stacking energy: -223.355 Base-Backbone interact. energy: -1.309 local terms energy: -254.660259 where: bonds (distance) C4'-P energy: -54.071 bonds (distance) P-C4' energy: -57.399 flat angles C4'-P-C4' energy: -65.558 flat angles P-C4'-P energy: -30.512 tors. eta vs tors. theta energy: -47.120 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: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -568.962570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.962570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.962570 (E_RNA) where: Base-Base interactions energy: -333.328 where: short stacking energy: -165.063 Base-Backbone interact. energy: -1.288 local terms energy: -234.346213 where: bonds (distance) C4'-P energy: -54.361 bonds (distance) P-C4' energy: -51.062 flat angles C4'-P-C4' energy: -57.954 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -30.927 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: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -325.614463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.614463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.614463 (E_RNA) where: Base-Base interactions energy: -127.869 where: short stacking energy: -80.465 Base-Backbone interact. energy: -0.592 local terms energy: -197.153844 where: bonds (distance) C4'-P energy: -50.816 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -56.234 flat angles P-C4'-P energy: -35.285 tors. eta vs tors. theta energy: 3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -290.781109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.781109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.781109 (E_RNA) where: Base-Base interactions energy: -129.929 where: short stacking energy: -82.770 Base-Backbone interact. energy: 3.355 local terms energy: -164.207440 where: bonds (distance) C4'-P energy: -56.318 bonds (distance) P-C4' energy: -55.447 flat angles C4'-P-C4' energy: -53.176 flat angles P-C4'-P energy: -10.933 tors. eta vs tors. theta energy: 11.668 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: 9 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1094.494681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.494681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.494681 (E_RNA) where: Base-Base interactions energy: -730.335 where: short stacking energy: -330.441 Base-Backbone interact. energy: 2.391 local terms energy: -366.550781 where: bonds (distance) C4'-P energy: -71.828 bonds (distance) P-C4' energy: -71.103 flat angles C4'-P-C4' energy: -75.249 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -97.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1058.314416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.314416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.314416 (E_RNA) where: Base-Base interactions energy: -714.122 where: short stacking energy: -303.207 Base-Backbone interact. energy: -1.971 local terms energy: -342.221897 where: bonds (distance) C4'-P energy: -68.421 bonds (distance) P-C4' energy: -69.123 flat angles C4'-P-C4' energy: -68.688 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -87.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -982.756522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.756522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.756522 (E_RNA) where: Base-Base interactions energy: -650.099 where: short stacking energy: -300.685 Base-Backbone interact. energy: -1.623 local terms energy: -331.033958 where: bonds (distance) C4'-P energy: -59.181 bonds (distance) P-C4' energy: -68.574 flat angles C4'-P-C4' energy: -71.130 flat angles P-C4'-P energy: -40.829 tors. eta vs tors. theta energy: -91.320 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: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -932.489743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.489743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.489743 (E_RNA) where: Base-Base interactions energy: -631.818 where: short stacking energy: -262.081 Base-Backbone interact. energy: -0.569 local terms energy: -300.101949 where: bonds (distance) C4'-P energy: -53.214 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -39.514 tors. eta vs tors. theta energy: -79.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -852.616980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.616980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.616980 (E_RNA) where: Base-Base interactions energy: -567.782 where: short stacking energy: -264.026 Base-Backbone interact. energy: -1.348 local terms energy: -283.487041 where: bonds (distance) C4'-P energy: -54.897 bonds (distance) P-C4' energy: -52.721 flat angles C4'-P-C4' energy: -69.880 flat angles P-C4'-P energy: -32.717 tors. eta vs tors. theta energy: -73.273 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: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -796.684413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.684413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.684413 (E_RNA) where: Base-Base interactions energy: -530.491 where: short stacking energy: -242.945 Base-Backbone interact. energy: -0.508 local terms energy: -265.685613 where: bonds (distance) C4'-P energy: -39.973 bonds (distance) P-C4' energy: -54.639 flat angles C4'-P-C4' energy: -59.456 flat angles P-C4'-P energy: -46.580 tors. eta vs tors. theta energy: -65.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -711.593675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.593675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.593675 (E_RNA) where: Base-Base interactions energy: -454.008 where: short stacking energy: -185.953 Base-Backbone interact. energy: -0.728 local terms energy: -256.857540 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -64.040 flat angles C4'-P-C4' energy: -57.892 flat angles P-C4'-P energy: -36.136 tors. eta vs tors. theta energy: -41.023 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: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -515.104515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.104515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.104515 (E_RNA) where: Base-Base interactions energy: -297.058 where: short stacking energy: -155.119 Base-Backbone interact. energy: -0.517 local terms energy: -217.529434 where: bonds (distance) C4'-P energy: -57.212 bonds (distance) P-C4' energy: -54.393 flat angles C4'-P-C4' energy: -51.792 flat angles P-C4'-P energy: -30.283 tors. eta vs tors. theta energy: -23.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -334.297470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.297470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.297470 (E_RNA) where: Base-Base interactions energy: -143.677 where: short stacking energy: -87.045 Base-Backbone interact. energy: 0.219 local terms energy: -190.839836 where: bonds (distance) C4'-P energy: -62.876 bonds (distance) P-C4' energy: -58.745 flat angles C4'-P-C4' energy: -49.681 flat angles P-C4'-P energy: -29.820 tors. eta vs tors. theta energy: 10.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -263.833566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.833566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.833566 (E_RNA) where: Base-Base interactions energy: -80.352 where: short stacking energy: -76.613 Base-Backbone interact. energy: -0.235 local terms energy: -183.246610 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -60.809 flat angles C4'-P-C4' energy: -45.642 flat angles P-C4'-P energy: -30.263 tors. eta vs tors. theta energy: 7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1080.777318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.777318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.777318 (E_RNA) where: Base-Base interactions energy: -741.877 where: short stacking energy: -344.738 Base-Backbone interact. energy: -0.202 local terms energy: -338.697980 where: bonds (distance) C4'-P energy: -54.723 bonds (distance) P-C4' energy: -66.616 flat angles C4'-P-C4' energy: -75.409 flat angles P-C4'-P energy: -50.481 tors. eta vs tors. theta energy: -91.470 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: 440 Temperature: 0.950000 Total energy: -1054.629278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.629278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.629278 (E_RNA) where: Base-Base interactions energy: -713.061 where: short stacking energy: -305.892 Base-Backbone interact. energy: -2.514 local terms energy: -339.054241 where: bonds (distance) C4'-P energy: -62.910 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -53.244 tors. eta vs tors. theta energy: -95.225 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: 3, replica: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -977.069171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.069171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.069171 (E_RNA) where: Base-Base interactions energy: -663.393 where: short stacking energy: -282.189 Base-Backbone interact. energy: 1.272 local terms energy: -314.947665 where: bonds (distance) C4'-P energy: -60.518 bonds (distance) P-C4' energy: -55.659 flat angles C4'-P-C4' energy: -70.501 flat angles P-C4'-P energy: -46.946 tors. eta vs tors. theta energy: -81.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -949.886791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.886791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.886791 (E_RNA) where: Base-Base interactions energy: -628.225 where: short stacking energy: -303.994 Base-Backbone interact. energy: -1.478 local terms energy: -320.183981 where: bonds (distance) C4'-P energy: -55.855 bonds (distance) P-C4' energy: -61.924 flat angles C4'-P-C4' energy: -70.984 flat angles P-C4'-P energy: -44.725 tors. eta vs tors. theta energy: -86.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -865.621590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.621590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.621590 (E_RNA) where: Base-Base interactions energy: -554.071 where: short stacking energy: -257.323 Base-Backbone interact. energy: 2.275 local terms energy: -313.826286 where: bonds (distance) C4'-P energy: -57.341 bonds (distance) P-C4' energy: -62.906 flat angles C4'-P-C4' energy: -66.888 flat angles P-C4'-P energy: -49.806 tors. eta vs tors. theta energy: -76.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -827.735882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.735882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.735882 (E_RNA) where: Base-Base interactions energy: -556.235 where: short stacking energy: -256.069 Base-Backbone interact. energy: -0.551 local terms energy: -270.949837 where: bonds (distance) C4'-P energy: -48.552 bonds (distance) P-C4' energy: -52.025 flat angles C4'-P-C4' energy: -48.725 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -73.810 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: 5 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -721.201569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.201569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.201569 (E_RNA) where: Base-Base interactions energy: -455.636 where: short stacking energy: -202.167 Base-Backbone interact. energy: -0.962 local terms energy: -264.604311 where: bonds (distance) C4'-P energy: -57.360 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -64.001 flat angles P-C4'-P energy: -38.347 tors. eta vs tors. theta energy: -44.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -520.068201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.068201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.068201 (E_RNA) where: Base-Base interactions energy: -296.679 where: short stacking energy: -168.305 Base-Backbone interact. energy: 1.340 local terms energy: -224.729393 where: bonds (distance) C4'-P energy: -60.927 bonds (distance) P-C4' energy: -42.172 flat angles C4'-P-C4' energy: -63.541 flat angles P-C4'-P energy: -30.239 tors. eta vs tors. theta energy: -27.849 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: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -326.132231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.132231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.132231 (E_RNA) where: Base-Base interactions energy: -131.571 where: short stacking energy: -97.417 Base-Backbone interact. energy: -1.601 local terms energy: -192.960057 where: bonds (distance) C4'-P energy: -55.714 bonds (distance) P-C4' energy: -53.381 flat angles C4'-P-C4' energy: -43.656 flat angles P-C4'-P energy: -38.046 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -313.046644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.046644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.046644 (E_RNA) where: Base-Base interactions energy: -142.245 where: short stacking energy: -96.016 Base-Backbone interact. energy: -0.309 local terms energy: -170.493088 where: bonds (distance) C4'-P energy: -51.385 bonds (distance) P-C4' energy: -49.949 flat angles C4'-P-C4' energy: -55.113 flat angles P-C4'-P energy: -17.509 tors. eta vs tors. theta energy: 3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1070.555477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.555477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.555477 (E_RNA) where: Base-Base interactions energy: -733.796 where: short stacking energy: -327.127 Base-Backbone interact. energy: 0.046 local terms energy: -336.806006 where: bonds (distance) C4'-P energy: -63.290 bonds (distance) P-C4' energy: -62.416 flat angles C4'-P-C4' energy: -77.548 flat angles P-C4'-P energy: -48.267 tors. eta vs tors. theta energy: -85.284 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: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1070.258737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.258737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.258737 (E_RNA) where: Base-Base interactions energy: -739.399 where: short stacking energy: -323.918 Base-Backbone interact. energy: -1.746 local terms energy: -329.113818 where: bonds (distance) C4'-P energy: -52.341 bonds (distance) P-C4' energy: -71.099 flat angles C4'-P-C4' energy: -66.170 flat angles P-C4'-P energy: -42.051 tors. eta vs tors. theta energy: -97.453 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: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -973.494512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.494512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.494512 (E_RNA) where: Base-Base interactions energy: -666.389 where: short stacking energy: -290.402 Base-Backbone interact. energy: -1.198 local terms energy: -305.908047 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -70.692 flat angles C4'-P-C4' energy: -63.150 flat angles P-C4'-P energy: -37.462 tors. eta vs tors. theta energy: -80.096 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: 4 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -887.634744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.634744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.634744 (E_RNA) where: Base-Base interactions energy: -585.009 where: short stacking energy: -286.465 Base-Backbone interact. energy: 0.218 local terms energy: -302.843456 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -56.335 flat angles C4'-P-C4' energy: -69.033 flat angles P-C4'-P energy: -38.366 tors. eta vs tors. theta energy: -79.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -937.073873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.073873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.073873 (E_RNA) where: Base-Base interactions energy: -619.381 where: short stacking energy: -287.754 Base-Backbone interact. energy: -0.861 local terms energy: -316.831989 where: bonds (distance) C4'-P energy: -61.608 bonds (distance) P-C4' energy: -64.150 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -46.629 tors. eta vs tors. theta energy: -76.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -748.855857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.855857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.855857 (E_RNA) where: Base-Base interactions energy: -481.144 where: short stacking energy: -226.157 Base-Backbone interact. energy: -3.326 local terms energy: -264.385998 where: bonds (distance) C4'-P energy: -52.310 bonds (distance) P-C4' energy: -65.278 flat angles C4'-P-C4' energy: -56.312 flat angles P-C4'-P energy: -38.068 tors. eta vs tors. theta energy: -52.418 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: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -742.399775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.399775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.399775 (E_RNA) where: Base-Base interactions energy: -502.189 where: short stacking energy: -211.305 Base-Backbone interact. energy: -1.676 local terms energy: -238.534644 where: bonds (distance) C4'-P energy: -45.326 bonds (distance) P-C4' energy: -40.939 flat angles C4'-P-C4' energy: -61.677 flat angles P-C4'-P energy: -42.430 tors. eta vs tors. theta energy: -48.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -494.266772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.266772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.266772 (E_RNA) where: Base-Base interactions energy: -280.401 where: short stacking energy: -149.933 Base-Backbone interact. energy: -1.812 local terms energy: -212.054050 where: bonds (distance) C4'-P energy: -53.457 bonds (distance) P-C4' energy: -56.643 flat angles C4'-P-C4' energy: -51.623 flat angles P-C4'-P energy: -33.028 tors. eta vs tors. theta energy: -17.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -355.246669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.246669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.246669 (E_RNA) where: Base-Base interactions energy: -164.937 where: short stacking energy: -101.510 Base-Backbone interact. energy: 1.693 local terms energy: -192.002496 where: bonds (distance) C4'-P energy: -62.206 bonds (distance) P-C4' energy: -65.139 flat angles C4'-P-C4' energy: -41.382 flat angles P-C4'-P energy: -24.312 tors. eta vs tors. theta energy: 1.037 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: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -296.928850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.928850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.928850 (E_RNA) where: Base-Base interactions energy: -116.122 where: short stacking energy: -71.405 Base-Backbone interact. energy: 0.278 local terms energy: -181.084982 where: bonds (distance) C4'-P energy: -49.836 bonds (distance) P-C4' energy: -54.648 flat angles C4'-P-C4' energy: -49.727 flat angles P-C4'-P energy: -38.189 tors. eta vs tors. theta energy: 11.315 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: 1, replica: 9 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1057.715972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.715972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.715972 (E_RNA) where: Base-Base interactions energy: -718.944 where: short stacking energy: -324.284 Base-Backbone interact. energy: -2.679 local terms energy: -336.092766 where: bonds (distance) C4'-P energy: -63.311 bonds (distance) P-C4' energy: -70.018 flat angles C4'-P-C4' energy: -67.316 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -84.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1047.050126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.050126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.050126 (E_RNA) where: Base-Base interactions energy: -715.310 where: short stacking energy: -316.787 Base-Backbone interact. energy: -1.699 local terms energy: -330.040790 where: bonds (distance) C4'-P energy: -61.987 bonds (distance) P-C4' energy: -60.683 flat angles C4'-P-C4' energy: -73.505 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -87.181 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: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -967.496400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.496400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.496400 (E_RNA) where: Base-Base interactions energy: -681.559 where: short stacking energy: -297.454 Base-Backbone interact. energy: -3.472 local terms energy: -282.465513 where: bonds (distance) C4'-P energy: -51.204 bonds (distance) P-C4' energy: -50.863 flat angles C4'-P-C4' energy: -65.855 flat angles P-C4'-P energy: -34.428 tors. eta vs tors. theta energy: -80.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -907.427935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.427935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.427935 (E_RNA) where: Base-Base interactions energy: -580.371 where: short stacking energy: -291.993 Base-Backbone interact. energy: -0.340 local terms energy: -326.716169 where: bonds (distance) C4'-P energy: -65.700 bonds (distance) P-C4' energy: -68.131 flat angles C4'-P-C4' energy: -64.216 flat angles P-C4'-P energy: -43.906 tors. eta vs tors. theta energy: -84.763 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: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -932.399884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.399884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.399884 (E_RNA) where: Base-Base interactions energy: -619.585 where: short stacking energy: -283.253 Base-Backbone interact. energy: -1.900 local terms energy: -310.915000 where: bonds (distance) C4'-P energy: -51.118 bonds (distance) P-C4' energy: -70.177 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -40.481 tors. eta vs tors. theta energy: -82.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -784.809980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.809980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.809980 (E_RNA) where: Base-Base interactions energy: -522.393 where: short stacking energy: -222.701 Base-Backbone interact. energy: -0.052 local terms energy: -262.365730 where: bonds (distance) C4'-P energy: -56.062 bonds (distance) P-C4' energy: -46.312 flat angles C4'-P-C4' energy: -71.743 flat angles P-C4'-P energy: -36.520 tors. eta vs tors. theta energy: -51.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -774.422291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.422291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.422291 (E_RNA) where: Base-Base interactions energy: -491.681 where: short stacking energy: -214.849 Base-Backbone interact. energy: -1.637 local terms energy: -281.104088 where: bonds (distance) C4'-P energy: -53.964 bonds (distance) P-C4' energy: -50.569 flat angles C4'-P-C4' energy: -66.162 flat angles P-C4'-P energy: -48.582 tors. eta vs tors. theta energy: -61.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -544.664522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.664522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.664522 (E_RNA) where: Base-Base interactions energy: -316.073 where: short stacking energy: -172.830 Base-Backbone interact. energy: -0.480 local terms energy: -228.111916 where: bonds (distance) C4'-P energy: -55.739 bonds (distance) P-C4' energy: -50.411 flat angles C4'-P-C4' energy: -46.319 flat angles P-C4'-P energy: -42.848 tors. eta vs tors. theta energy: -32.794 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: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -326.258609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.258609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.258609 (E_RNA) where: Base-Base interactions energy: -129.971 where: short stacking energy: -98.269 Base-Backbone interact. energy: -1.715 local terms energy: -194.573141 where: bonds (distance) C4'-P energy: -58.083 bonds (distance) P-C4' energy: -56.957 flat angles C4'-P-C4' energy: -47.278 flat angles P-C4'-P energy: -37.322 tors. eta vs tors. theta energy: 5.067 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: 10, replica: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -261.710950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.710950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.710950 (E_RNA) where: Base-Base interactions energy: -87.975 where: short stacking energy: -65.491 Base-Backbone interact. energy: 1.360 local terms energy: -175.095924 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -55.232 flat angles C4'-P-C4' energy: -43.583 flat angles P-C4'-P energy: -27.652 tors. eta vs tors. theta energy: 4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1090.845715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.845715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.845715 (E_RNA) where: Base-Base interactions energy: -739.839 where: short stacking energy: -331.401 Base-Backbone interact. energy: -4.159 local terms energy: -346.847172 where: bonds (distance) C4'-P energy: -64.502 bonds (distance) P-C4' energy: -70.141 flat angles C4'-P-C4' energy: -69.279 flat angles P-C4'-P energy: -51.038 tors. eta vs tors. theta energy: -91.887 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: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1056.003078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.003078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.003078 (E_RNA) where: Base-Base interactions energy: -730.035 where: short stacking energy: -318.723 Base-Backbone interact. energy: -1.758 local terms energy: -324.209784 where: bonds (distance) C4'-P energy: -59.184 bonds (distance) P-C4' energy: -60.660 flat angles C4'-P-C4' energy: -70.021 flat angles P-C4'-P energy: -39.061 tors. eta vs tors. theta energy: -95.283 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: 443 Temperature: 1.000000 Total energy: -977.693064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.693064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.693064 (E_RNA) where: Base-Base interactions energy: -670.490 where: short stacking energy: -283.893 Base-Backbone interact. energy: -1.953 local terms energy: -305.250468 where: bonds (distance) C4'-P energy: -57.216 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -66.401 flat angles P-C4'-P energy: -38.198 tors. eta vs tors. theta energy: -77.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -941.815974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.815974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.815974 (E_RNA) where: Base-Base interactions energy: -630.192 where: short stacking energy: -289.179 Base-Backbone interact. energy: -0.520 local terms energy: -311.103910 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -66.994 flat angles C4'-P-C4' energy: -56.711 flat angles P-C4'-P energy: -44.613 tors. eta vs tors. theta energy: -79.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -864.313233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.313233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.313233 (E_RNA) where: Base-Base interactions energy: -549.353 where: short stacking energy: -261.450 Base-Backbone interact. energy: -0.459 local terms energy: -314.500490 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -62.298 flat angles P-C4'-P energy: -37.640 tors. eta vs tors. theta energy: -87.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -799.196397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.196397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.196397 (E_RNA) where: Base-Base interactions energy: -533.754 where: short stacking energy: -230.396 Base-Backbone interact. energy: -0.409 local terms energy: -265.033555 where: bonds (distance) C4'-P energy: -52.288 bonds (distance) P-C4' energy: -46.025 flat angles C4'-P-C4' energy: -59.964 flat angles P-C4'-P energy: -41.873 tors. eta vs tors. theta energy: -64.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -754.218554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.218554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.218554 (E_RNA) where: Base-Base interactions energy: -471.697 where: short stacking energy: -217.136 Base-Backbone interact. energy: -1.627 local terms energy: -280.894723 where: bonds (distance) C4'-P energy: -54.766 bonds (distance) P-C4' energy: -68.184 flat angles C4'-P-C4' energy: -60.527 flat angles P-C4'-P energy: -46.652 tors. eta vs tors. theta energy: -50.765 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: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -487.729303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.729303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.729303 (E_RNA) where: Base-Base interactions energy: -272.559 where: short stacking energy: -155.031 Base-Backbone interact. energy: -1.324 local terms energy: -213.846612 where: bonds (distance) C4'-P energy: -42.577 bonds (distance) P-C4' energy: -51.955 flat angles C4'-P-C4' energy: -55.226 flat angles P-C4'-P energy: -36.586 tors. eta vs tors. theta energy: -27.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -324.430831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.430831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.430831 (E_RNA) where: Base-Base interactions energy: -127.089 where: short stacking energy: -93.945 Base-Backbone interact. energy: -0.698 local terms energy: -196.643247 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -54.654 flat angles C4'-P-C4' energy: -55.101 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: 6.168 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: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -262.735817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.735817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.735817 (E_RNA) where: Base-Base interactions energy: -87.412 where: short stacking energy: -79.036 Base-Backbone interact. energy: -0.731 local terms energy: -174.593384 where: bonds (distance) C4'-P energy: -46.179 bonds (distance) P-C4' energy: -54.747 flat angles C4'-P-C4' energy: -50.928 flat angles P-C4'-P energy: -28.492 tors. eta vs tors. theta energy: 5.753 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: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1093.916185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.916185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.916185 (E_RNA) where: Base-Base interactions energy: -741.507 where: short stacking energy: -326.416 Base-Backbone interact. energy: -0.623 local terms energy: -351.786018 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -71.631 flat angles P-C4'-P energy: -51.110 tors. eta vs tors. theta energy: -94.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1054.395331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.395331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.395331 (E_RNA) where: Base-Base interactions energy: -721.918 where: short stacking energy: -328.019 Base-Backbone interact. energy: -2.820 local terms energy: -329.657241 where: bonds (distance) C4'-P energy: -60.498 bonds (distance) P-C4' energy: -64.236 flat angles C4'-P-C4' energy: -62.796 flat angles P-C4'-P energy: -49.334 tors. eta vs tors. theta energy: -92.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -947.904179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.904179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.904179 (E_RNA) where: Base-Base interactions energy: -641.398 where: short stacking energy: -274.760 Base-Backbone interact. energy: -2.988 local terms energy: -303.518189 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -52.225 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -46.272 tors. eta vs tors. theta energy: -73.362 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: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -951.104482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.104482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.104482 (E_RNA) where: Base-Base interactions energy: -641.657 where: short stacking energy: -277.509 Base-Backbone interact. energy: -1.364 local terms energy: -308.082741 where: bonds (distance) C4'-P energy: -65.091 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -68.952 flat angles P-C4'-P energy: -30.015 tors. eta vs tors. theta energy: -76.675 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: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -848.712560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.712560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.712560 (E_RNA) where: Base-Base interactions energy: -546.679 where: short stacking energy: -254.933 Base-Backbone interact. energy: -1.177 local terms energy: -300.855963 where: bonds (distance) C4'-P energy: -54.041 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -62.895 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -74.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -766.332059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.332059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.332059 (E_RNA) where: Base-Base interactions energy: -506.059 where: short stacking energy: -222.173 Base-Backbone interact. energy: -0.980 local terms energy: -259.293497 where: bonds (distance) C4'-P energy: -52.025 bonds (distance) P-C4' energy: -62.185 flat angles C4'-P-C4' energy: -56.869 flat angles P-C4'-P energy: -35.499 tors. eta vs tors. theta energy: -52.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -708.947333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.947333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.947333 (E_RNA) where: Base-Base interactions energy: -475.644 where: short stacking energy: -195.242 Base-Backbone interact. energy: -0.499 local terms energy: -232.804593 where: bonds (distance) C4'-P energy: -42.965 bonds (distance) P-C4' energy: -58.789 flat angles C4'-P-C4' energy: -59.523 flat angles P-C4'-P energy: -28.979 tors. eta vs tors. theta energy: -42.549 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: 8, replica: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -452.898837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.898837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.898837 (E_RNA) where: Base-Base interactions energy: -244.105 where: short stacking energy: -147.203 Base-Backbone interact. energy: 0.072 local terms energy: -208.866224 where: bonds (distance) C4'-P energy: -45.660 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -45.898 flat angles P-C4'-P energy: -33.354 tors. eta vs tors. theta energy: -24.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -306.976833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.976833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.976833 (E_RNA) where: Base-Base interactions energy: -137.698 where: short stacking energy: -105.763 Base-Backbone interact. energy: 4.296 local terms energy: -173.575106 where: bonds (distance) C4'-P energy: -42.074 bonds (distance) P-C4' energy: -52.558 flat angles C4'-P-C4' energy: -44.818 flat angles P-C4'-P energy: -32.517 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -264.064395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.064395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.064395 (E_RNA) where: Base-Base interactions energy: -82.386 where: short stacking energy: -78.535 Base-Backbone interact. energy: 0.030 local terms energy: -181.708456 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -49.287 flat angles C4'-P-C4' energy: -44.623 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: 10.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1072.566690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.566690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.566690 (E_RNA) where: Base-Base interactions energy: -733.677 where: short stacking energy: -324.982 Base-Backbone interact. energy: -2.446 local terms energy: -336.443265 where: bonds (distance) C4'-P energy: -57.836 bonds (distance) P-C4' energy: -62.011 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: -91.274 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: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1075.875903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.875903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.875903 (E_RNA) where: Base-Base interactions energy: -733.394 where: short stacking energy: -306.588 Base-Backbone interact. energy: -1.772 local terms energy: -340.709604 where: bonds (distance) C4'-P energy: -58.951 bonds (distance) P-C4' energy: -59.721 flat angles C4'-P-C4' energy: -67.404 flat angles P-C4'-P energy: -56.945 tors. eta vs tors. theta energy: -97.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -986.141844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.141844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.141844 (E_RNA) where: Base-Base interactions energy: -653.467 where: short stacking energy: -303.203 Base-Backbone interact. energy: -2.978 local terms energy: -329.696520 where: bonds (distance) C4'-P energy: -66.549 bonds (distance) P-C4' energy: -67.723 flat angles C4'-P-C4' energy: -64.150 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -85.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -945.294295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.294295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.294295 (E_RNA) where: Base-Base interactions energy: -626.302 where: short stacking energy: -265.106 Base-Backbone interact. energy: -1.953 local terms energy: -317.039695 where: bonds (distance) C4'-P energy: -70.853 bonds (distance) P-C4' energy: -69.930 flat angles C4'-P-C4' energy: -61.395 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: -68.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -830.980759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.980759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.980759 (E_RNA) where: Base-Base interactions energy: -520.676 where: short stacking energy: -252.802 Base-Backbone interact. energy: -0.460 local terms energy: -309.844904 where: bonds (distance) C4'-P energy: -56.499 bonds (distance) P-C4' energy: -60.501 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -47.032 tors. eta vs tors. theta energy: -77.198 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: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -787.744056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.744056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.744056 (E_RNA) where: Base-Base interactions energy: -550.281 where: short stacking energy: -241.387 Base-Backbone interact. energy: -1.608 local terms energy: -235.855293 where: bonds (distance) C4'-P energy: -44.217 bonds (distance) P-C4' energy: -46.958 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -30.488 tors. eta vs tors. theta energy: -52.650 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: 445 Temperature: 1.200000 Total energy: -743.779003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.779003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.779003 (E_RNA) where: Base-Base interactions energy: -485.946 where: short stacking energy: -210.063 Base-Backbone interact. energy: -0.212 local terms energy: -257.621275 where: bonds (distance) C4'-P energy: -59.600 bonds (distance) P-C4' energy: -52.465 flat angles C4'-P-C4' energy: -64.489 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: -44.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -436.004276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.004276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.004276 (E_RNA) where: Base-Base interactions energy: -238.398 where: short stacking energy: -126.975 Base-Backbone interact. energy: -1.132 local terms energy: -196.474775 where: bonds (distance) C4'-P energy: -54.976 bonds (distance) P-C4' energy: -49.676 flat angles C4'-P-C4' energy: -49.519 flat angles P-C4'-P energy: -30.367 tors. eta vs tors. theta energy: -11.937 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: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -277.565538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.565538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.565538 (E_RNA) where: Base-Base interactions energy: -111.281 where: short stacking energy: -74.849 Base-Backbone interact. energy: -2.121 local terms energy: -164.163562 where: bonds (distance) C4'-P energy: -57.752 bonds (distance) P-C4' energy: -49.975 flat angles C4'-P-C4' energy: -50.263 flat angles P-C4'-P energy: -28.444 tors. eta vs tors. theta energy: 22.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -269.174188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.174188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.174188 (E_RNA) where: Base-Base interactions energy: -103.559 where: short stacking energy: -91.572 Base-Backbone interact. energy: 0.978 local terms energy: -166.592414 where: bonds (distance) C4'-P energy: -55.070 bonds (distance) P-C4' energy: -41.895 flat angles C4'-P-C4' energy: -50.553 flat angles P-C4'-P energy: -20.366 tors. eta vs tors. theta energy: 1.291 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: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1087.591496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.591496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.591496 (E_RNA) where: Base-Base interactions energy: -721.491 where: short stacking energy: -317.566 Base-Backbone interact. energy: -2.076 local terms energy: -364.024314 where: bonds (distance) C4'-P energy: -72.314 bonds (distance) P-C4' energy: -74.276 flat angles C4'-P-C4' energy: -70.388 flat angles P-C4'-P energy: -52.637 tors. eta vs tors. theta energy: -94.410 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: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1054.330934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.330934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.330934 (E_RNA) where: Base-Base interactions energy: -719.675 where: short stacking energy: -307.836 Base-Backbone interact. energy: -1.736 local terms energy: -332.920471 where: bonds (distance) C4'-P energy: -64.259 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -69.834 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -91.102 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: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -963.279134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.279134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.279134 (E_RNA) where: Base-Base interactions energy: -650.212 where: short stacking energy: -286.244 Base-Backbone interact. energy: -2.857 local terms energy: -310.210220 where: bonds (distance) C4'-P energy: -60.050 bonds (distance) P-C4' energy: -56.045 flat angles C4'-P-C4' energy: -73.874 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -76.992 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: 446 Temperature: 1.050000 Total energy: -959.026830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.026830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.026830 (E_RNA) where: Base-Base interactions energy: -646.164 where: short stacking energy: -293.105 Base-Backbone interact. energy: -1.387 local terms energy: -311.476034 where: bonds (distance) C4'-P energy: -61.606 bonds (distance) P-C4' energy: -48.922 flat angles C4'-P-C4' energy: -72.673 flat angles P-C4'-P energy: -45.907 tors. eta vs tors. theta energy: -82.369 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: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -829.844584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.844584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.844584 (E_RNA) where: Base-Base interactions energy: -527.626 where: short stacking energy: -251.708 Base-Backbone interact. energy: -0.875 local terms energy: -301.343467 where: bonds (distance) C4'-P energy: -56.136 bonds (distance) P-C4' energy: -65.743 flat angles C4'-P-C4' energy: -62.145 flat angles P-C4'-P energy: -44.631 tors. eta vs tors. theta energy: -72.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -791.598267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.598267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.598267 (E_RNA) where: Base-Base interactions energy: -514.831 where: short stacking energy: -227.133 Base-Backbone interact. energy: -0.390 local terms energy: -276.377117 where: bonds (distance) C4'-P energy: -57.248 bonds (distance) P-C4' energy: -65.507 flat angles C4'-P-C4' energy: -69.526 flat angles P-C4'-P energy: -32.588 tors. eta vs tors. theta energy: -51.508 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: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -755.659033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.659033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.659033 (E_RNA) where: Base-Base interactions energy: -509.581 where: short stacking energy: -202.214 Base-Backbone interact. energy: -1.601 local terms energy: -244.477530 where: bonds (distance) C4'-P energy: -45.814 bonds (distance) P-C4' energy: -56.532 flat angles C4'-P-C4' energy: -51.507 flat angles P-C4'-P energy: -39.217 tors. eta vs tors. theta energy: -51.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -431.447028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.447028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.447028 (E_RNA) where: Base-Base interactions energy: -231.422 where: short stacking energy: -119.437 Base-Backbone interact. energy: 3.248 local terms energy: -203.273103 where: bonds (distance) C4'-P energy: -45.616 bonds (distance) P-C4' energy: -55.866 flat angles C4'-P-C4' energy: -64.637 flat angles P-C4'-P energy: -40.939 tors. eta vs tors. theta energy: 3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -297.577014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.577014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.577014 (E_RNA) where: Base-Base interactions energy: -116.162 where: short stacking energy: -89.337 Base-Backbone interact. energy: 0.163 local terms energy: -181.578368 where: bonds (distance) C4'-P energy: -53.546 bonds (distance) P-C4' energy: -54.915 flat angles C4'-P-C4' energy: -52.583 flat angles P-C4'-P energy: -25.226 tors. eta vs tors. theta energy: 4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -279.237613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.237613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.237613 (E_RNA) where: Base-Base interactions energy: -87.641 where: short stacking energy: -76.850 Base-Backbone interact. energy: 0.373 local terms energy: -191.969308 where: bonds (distance) C4'-P energy: -41.765 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -55.013 flat angles P-C4'-P energy: -37.161 tors. eta vs tors. theta energy: -1.775 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: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1085.517591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.517591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.517591 (E_RNA) where: Base-Base interactions energy: -739.088 where: short stacking energy: -331.184 Base-Backbone interact. energy: -1.589 local terms energy: -344.840746 where: bonds (distance) C4'-P energy: -51.678 bonds (distance) P-C4' energy: -68.344 flat angles C4'-P-C4' energy: -69.272 flat angles P-C4'-P energy: -55.120 tors. eta vs tors. theta energy: -100.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1052.581736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.581736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.581736 (E_RNA) where: Base-Base interactions energy: -711.046 where: short stacking energy: -314.983 Base-Backbone interact. energy: -2.287 local terms energy: -339.248288 where: bonds (distance) C4'-P energy: -69.358 bonds (distance) P-C4' energy: -64.579 flat angles C4'-P-C4' energy: -69.495 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -90.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -957.964573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.964573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.964573 (E_RNA) where: Base-Base interactions energy: -651.567 where: short stacking energy: -277.297 Base-Backbone interact. energy: -1.317 local terms energy: -305.081242 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -63.735 flat angles C4'-P-C4' energy: -61.415 flat angles P-C4'-P energy: -50.204 tors. eta vs tors. theta energy: -71.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -928.154331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.154331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.154331 (E_RNA) where: Base-Base interactions energy: -608.360 where: short stacking energy: -274.329 Base-Backbone interact. energy: -1.281 local terms energy: -318.513550 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -65.259 flat angles C4'-P-C4' energy: -68.835 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -73.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -855.464890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.464890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.464890 (E_RNA) where: Base-Base interactions energy: -555.382 where: short stacking energy: -267.146 Base-Backbone interact. energy: 0.995 local terms energy: -301.078067 where: bonds (distance) C4'-P energy: -52.726 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -60.497 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -82.397 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: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -796.017713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.017713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.017713 (E_RNA) where: Base-Base interactions energy: -533.446 where: short stacking energy: -237.773 Base-Backbone interact. energy: -1.405 local terms energy: -261.167055 where: bonds (distance) C4'-P energy: -49.417 bonds (distance) P-C4' energy: -47.023 flat angles C4'-P-C4' energy: -59.737 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -60.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -753.669947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.669947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.669947 (E_RNA) where: Base-Base interactions energy: -496.152 where: short stacking energy: -219.990 Base-Backbone interact. energy: -1.208 local terms energy: -256.310131 where: bonds (distance) C4'-P energy: -64.054 bonds (distance) P-C4' energy: -57.205 flat angles C4'-P-C4' energy: -57.445 flat angles P-C4'-P energy: -21.022 tors. eta vs tors. theta energy: -56.584 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: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -417.515165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.515165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.515165 (E_RNA) where: Base-Base interactions energy: -213.133 where: short stacking energy: -102.872 Base-Backbone interact. energy: 3.836 local terms energy: -208.218307 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -57.179 flat angles C4'-P-C4' energy: -52.278 flat angles P-C4'-P energy: -34.604 tors. eta vs tors. theta energy: -7.283 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: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -314.768260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.768260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.768260 (E_RNA) where: Base-Base interactions energy: -128.176 where: short stacking energy: -84.099 Base-Backbone interact. energy: -0.926 local terms energy: -185.666572 where: bonds (distance) C4'-P energy: -48.698 bonds (distance) P-C4' energy: -51.890 flat angles C4'-P-C4' energy: -46.231 flat angles P-C4'-P energy: -34.791 tors. eta vs tors. theta energy: -4.057 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: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -303.335473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.335473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.335473 (E_RNA) where: Base-Base interactions energy: -131.779 where: short stacking energy: -103.332 Base-Backbone interact. energy: 1.404 local terms energy: -172.961083 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -56.423 flat angles C4'-P-C4' energy: -35.839 flat angles P-C4'-P energy: -26.709 tors. eta vs tors. theta energy: -1.238 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: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1094.186043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.186043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.186043 (E_RNA) where: Base-Base interactions energy: -754.064 where: short stacking energy: -345.059 Base-Backbone interact. energy: -1.953 local terms energy: -338.169217 where: bonds (distance) C4'-P energy: -53.541 bonds (distance) P-C4' energy: -68.861 flat angles C4'-P-C4' energy: -71.712 flat angles P-C4'-P energy: -43.870 tors. eta vs tors. theta energy: -100.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1085.496877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.496877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.496877 (E_RNA) where: Base-Base interactions energy: -749.119 where: short stacking energy: -330.368 Base-Backbone interact. energy: 2.285 local terms energy: -338.662447 where: bonds (distance) C4'-P energy: -63.639 bonds (distance) P-C4' energy: -62.295 flat angles C4'-P-C4' energy: -62.128 flat angles P-C4'-P energy: -49.984 tors. eta vs tors. theta energy: -100.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -988.794381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.794381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.794381 (E_RNA) where: Base-Base interactions energy: -665.735 where: short stacking energy: -293.598 Base-Backbone interact. energy: 0.024 local terms energy: -323.083218 where: bonds (distance) C4'-P energy: -64.247 bonds (distance) P-C4' energy: -65.080 flat angles C4'-P-C4' energy: -70.007 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -78.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -938.372173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.372173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.372173 (E_RNA) where: Base-Base interactions energy: -616.523 where: short stacking energy: -283.474 Base-Backbone interact. energy: -2.222 local terms energy: -319.626798 where: bonds (distance) C4'-P energy: -58.088 bonds (distance) P-C4' energy: -55.210 flat angles C4'-P-C4' energy: -73.003 flat angles P-C4'-P energy: -44.672 tors. eta vs tors. theta energy: -88.654 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: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -844.843857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.843857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.843857 (E_RNA) where: Base-Base interactions energy: -545.251 where: short stacking energy: -256.539 Base-Backbone interact. energy: -1.618 local terms energy: -297.974858 where: bonds (distance) C4'-P energy: -62.949 bonds (distance) P-C4' energy: -59.433 flat angles C4'-P-C4' energy: -62.746 flat angles P-C4'-P energy: -36.602 tors. eta vs tors. theta energy: -76.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -749.546332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.546332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.546332 (E_RNA) where: Base-Base interactions energy: -496.266 where: short stacking energy: -211.221 Base-Backbone interact. energy: -3.194 local terms energy: -250.086201 where: bonds (distance) C4'-P energy: -49.847 bonds (distance) P-C4' energy: -61.504 flat angles C4'-P-C4' energy: -65.790 flat angles P-C4'-P energy: -22.603 tors. eta vs tors. theta energy: -50.342 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: 448 Temperature: 1.200000 Total energy: -754.678331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.678331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.678331 (E_RNA) where: Base-Base interactions energy: -488.075 where: short stacking energy: -198.047 Base-Backbone interact. energy: 3.402 local terms energy: -270.005030 where: bonds (distance) C4'-P energy: -48.907 bonds (distance) P-C4' energy: -65.258 flat angles C4'-P-C4' energy: -65.723 flat angles P-C4'-P energy: -30.883 tors. eta vs tors. theta energy: -59.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -416.856996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.856996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.856996 (E_RNA) where: Base-Base interactions energy: -209.079 where: short stacking energy: -112.900 Base-Backbone interact. energy: 2.447 local terms energy: -210.224844 where: bonds (distance) C4'-P energy: -54.729 bonds (distance) P-C4' energy: -50.397 flat angles C4'-P-C4' energy: -60.380 flat angles P-C4'-P energy: -30.643 tors. eta vs tors. theta energy: -14.076 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: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -326.016112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.016112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.016112 (E_RNA) where: Base-Base interactions energy: -132.022 where: short stacking energy: -90.903 Base-Backbone interact. energy: -2.068 local terms energy: -191.925895 where: bonds (distance) C4'-P energy: -47.352 bonds (distance) P-C4' energy: -59.647 flat angles C4'-P-C4' energy: -46.288 flat angles P-C4'-P energy: -30.963 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -318.405518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.405518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.405518 (E_RNA) where: Base-Base interactions energy: -131.954 where: short stacking energy: -93.581 Base-Backbone interact. energy: -0.423 local terms energy: -186.028459 where: bonds (distance) C4'-P energy: -54.599 bonds (distance) P-C4' energy: -60.885 flat angles C4'-P-C4' energy: -54.371 flat angles P-C4'-P energy: -10.300 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1077.450163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.450163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.450163 (E_RNA) where: Base-Base interactions energy: -743.010 where: short stacking energy: -343.672 Base-Backbone interact. energy: -0.622 local terms energy: -333.818032 where: bonds (distance) C4'-P energy: -60.919 bonds (distance) P-C4' energy: -63.416 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -46.201 tors. eta vs tors. theta energy: -96.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1065.773839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.773839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.773839 (E_RNA) where: Base-Base interactions energy: -728.257 where: short stacking energy: -313.621 Base-Backbone interact. energy: -1.884 local terms energy: -335.632892 where: bonds (distance) C4'-P energy: -60.607 bonds (distance) P-C4' energy: -55.222 flat angles C4'-P-C4' energy: -71.948 flat angles P-C4'-P energy: -50.314 tors. eta vs tors. theta energy: -97.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -989.558027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.558027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.558027 (E_RNA) where: Base-Base interactions energy: -674.712 where: short stacking energy: -293.155 Base-Backbone interact. energy: -2.217 local terms energy: -312.628648 where: bonds (distance) C4'-P energy: -51.627 bonds (distance) P-C4' energy: -68.141 flat angles C4'-P-C4' energy: -62.271 flat angles P-C4'-P energy: -43.490 tors. eta vs tors. theta energy: -87.100 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: 449 Temperature: 1.050000 Total energy: -973.633393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.633393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.633393 (E_RNA) where: Base-Base interactions energy: -654.874 where: short stacking energy: -305.805 Base-Backbone interact. energy: -1.746 local terms energy: -317.012811 where: bonds (distance) C4'-P energy: -53.592 bonds (distance) P-C4' energy: -60.863 flat angles C4'-P-C4' energy: -70.375 flat angles P-C4'-P energy: -40.642 tors. eta vs tors. theta energy: -91.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -833.915043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.915043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.915043 (E_RNA) where: Base-Base interactions energy: -548.964 where: short stacking energy: -280.999 Base-Backbone interact. energy: -0.950 local terms energy: -284.001182 where: bonds (distance) C4'-P energy: -43.928 bonds (distance) P-C4' energy: -57.732 flat angles C4'-P-C4' energy: -57.742 flat angles P-C4'-P energy: -41.547 tors. eta vs tors. theta energy: -83.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -736.315395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.315395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.315395 (E_RNA) where: Base-Base interactions energy: -482.091 where: short stacking energy: -204.176 Base-Backbone interact. energy: 2.244 local terms energy: -256.468383 where: bonds (distance) C4'-P energy: -56.822 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -58.186 flat angles P-C4'-P energy: -34.518 tors. eta vs tors. theta energy: -45.943 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: 449 Temperature: 1.200000 Total energy: -775.690206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.690206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.690206 (E_RNA) where: Base-Base interactions energy: -511.467 where: short stacking energy: -221.477 Base-Backbone interact. energy: 2.932 local terms energy: -267.154505 where: bonds (distance) C4'-P energy: -57.081 bonds (distance) P-C4' energy: -52.890 flat angles C4'-P-C4' energy: -70.103 flat angles P-C4'-P energy: -39.142 tors. eta vs tors. theta energy: -47.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -383.601689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.601689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.601689 (E_RNA) where: Base-Base interactions energy: -186.089 where: short stacking energy: -140.364 Base-Backbone interact. energy: -1.483 local terms energy: -196.029415 where: bonds (distance) C4'-P energy: -49.278 bonds (distance) P-C4' energy: -56.174 flat angles C4'-P-C4' energy: -45.249 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -374.193332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.193332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.193332 (E_RNA) where: Base-Base interactions energy: -172.041 where: short stacking energy: -97.852 Base-Backbone interact. energy: 0.112 local terms energy: -202.264475 where: bonds (distance) C4'-P energy: -62.680 bonds (distance) P-C4' energy: -65.204 flat angles C4'-P-C4' energy: -49.620 flat angles P-C4'-P energy: -30.187 tors. eta vs tors. theta energy: 5.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -350.151144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.151144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.151144 (E_RNA) where: Base-Base interactions energy: -158.964 where: short stacking energy: -102.466 Base-Backbone interact. energy: -0.899 local terms energy: -190.287278 where: bonds (distance) C4'-P energy: -57.631 bonds (distance) P-C4' energy: -57.667 flat angles C4'-P-C4' energy: -46.771 flat angles P-C4'-P energy: -21.701 tors. eta vs tors. theta energy: -6.517 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: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1074.112213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.112213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.112213 (E_RNA) where: Base-Base interactions energy: -743.776 where: short stacking energy: -322.293 Base-Backbone interact. energy: -1.241 local terms energy: -329.094986 where: bonds (distance) C4'-P energy: -55.445 bonds (distance) P-C4' energy: -59.410 flat angles C4'-P-C4' energy: -73.171 flat angles P-C4'-P energy: -46.874 tors. eta vs tors. theta energy: -94.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1048.115126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.115126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.115126 (E_RNA) where: Base-Base interactions energy: -724.728 where: short stacking energy: -317.458 Base-Backbone interact. energy: -0.224 local terms energy: -323.162742 where: bonds (distance) C4'-P energy: -55.061 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -40.744 tors. eta vs tors. theta energy: -93.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -994.881909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.881909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.881909 (E_RNA) where: Base-Base interactions energy: -679.452 where: short stacking energy: -296.736 Base-Backbone interact. energy: 3.034 local terms energy: -318.464135 where: bonds (distance) C4'-P energy: -52.325 bonds (distance) P-C4' energy: -65.888 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: -83.046 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: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -940.028793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.028793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.028793 (E_RNA) where: Base-Base interactions energy: -642.939 where: short stacking energy: -284.651 Base-Backbone interact. energy: -1.892 local terms energy: -295.197811 where: bonds (distance) C4'-P energy: -51.326 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -62.098 flat angles P-C4'-P energy: -37.802 tors. eta vs tors. theta energy: -82.895 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: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -796.048100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.048100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.048100 (E_RNA) where: Base-Base interactions energy: -544.408 where: short stacking energy: -232.149 Base-Backbone interact. energy: 3.454 local terms energy: -255.093809 where: bonds (distance) C4'-P energy: -51.638 bonds (distance) P-C4' energy: -62.572 flat angles C4'-P-C4' energy: -58.998 flat angles P-C4'-P energy: -32.979 tors. eta vs tors. theta energy: -48.907 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: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -805.427096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.427096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.427096 (E_RNA) where: Base-Base interactions energy: -538.973 where: short stacking energy: -252.979 Base-Backbone interact. energy: -0.149 local terms energy: -266.304950 where: bonds (distance) C4'-P energy: -49.952 bonds (distance) P-C4' energy: -48.113 flat angles C4'-P-C4' energy: -66.233 flat angles P-C4'-P energy: -29.743 tors. eta vs tors. theta energy: -72.264 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: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -769.978250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.978250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.978250 (E_RNA) where: Base-Base interactions energy: -503.388 where: short stacking energy: -203.932 Base-Backbone interact. energy: -1.539 local terms energy: -265.050608 where: bonds (distance) C4'-P energy: -44.970 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -63.357 flat angles P-C4'-P energy: -33.620 tors. eta vs tors. theta energy: -55.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -401.216427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.216427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.216427 (E_RNA) where: Base-Base interactions energy: -193.615 where: short stacking energy: -128.485 Base-Backbone interact. energy: -0.193 local terms energy: -207.408633 where: bonds (distance) C4'-P energy: -44.800 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -49.716 flat angles P-C4'-P energy: -32.360 tors. eta vs tors. theta energy: -22.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -365.212552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.212552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.212552 (E_RNA) where: Base-Base interactions energy: -181.416 where: short stacking energy: -125.677 Base-Backbone interact. energy: 0.423 local terms energy: -184.219970 where: bonds (distance) C4'-P energy: -50.732 bonds (distance) P-C4' energy: -45.977 flat angles C4'-P-C4' energy: -49.017 flat angles P-C4'-P energy: -33.403 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: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -347.708769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.708769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.708769 (E_RNA) where: Base-Base interactions energy: -152.623 where: short stacking energy: -88.418 Base-Backbone interact. energy: 1.612 local terms energy: -196.697768 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -47.358 flat angles C4'-P-C4' energy: -56.451 flat angles P-C4'-P energy: -35.469 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1100.199043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.199043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.199043 (E_RNA) where: Base-Base interactions energy: -755.879 where: short stacking energy: -346.180 Base-Backbone interact. energy: 1.859 local terms energy: -346.179430 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -67.929 flat angles C4'-P-C4' energy: -78.683 flat angles P-C4'-P energy: -46.262 tors. eta vs tors. theta energy: -91.815 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: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -998.598741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.598741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.598741 (E_RNA) where: Base-Base interactions energy: -679.904 where: short stacking energy: -291.618 Base-Backbone interact. energy: 0.938 local terms energy: -319.633701 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -63.826 flat angles C4'-P-C4' energy: -69.013 flat angles P-C4'-P energy: -46.166 tors. eta vs tors. theta energy: -80.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1032.177463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.177463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.177463 (E_RNA) where: Base-Base interactions energy: -708.812 where: short stacking energy: -317.663 Base-Backbone interact. energy: 0.286 local terms energy: -323.651436 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -59.346 flat angles C4'-P-C4' energy: -69.276 flat angles P-C4'-P energy: -39.997 tors. eta vs tors. theta energy: -97.221 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: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -893.146964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.146964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.146964 (E_RNA) where: Base-Base interactions energy: -598.241 where: short stacking energy: -280.456 Base-Backbone interact. energy: -1.122 local terms energy: -293.783967 where: bonds (distance) C4'-P energy: -50.039 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -37.305 tors. eta vs tors. theta energy: -80.563 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: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -821.126044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.126044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.126044 (E_RNA) where: Base-Base interactions energy: -537.897 where: short stacking energy: -230.866 Base-Backbone interact. energy: -1.592 local terms energy: -281.637344 where: bonds (distance) C4'-P energy: -53.489 bonds (distance) P-C4' energy: -64.973 flat angles C4'-P-C4' energy: -60.206 flat angles P-C4'-P energy: -39.130 tors. eta vs tors. theta energy: -63.840 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: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -786.002544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.002544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.002544 (E_RNA) where: Base-Base interactions energy: -491.445 where: short stacking energy: -218.334 Base-Backbone interact. energy: -1.510 local terms energy: -293.047516 where: bonds (distance) C4'-P energy: -67.556 bonds (distance) P-C4' energy: -62.097 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -48.733 tors. eta vs tors. theta energy: -54.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -768.227172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.227172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.227172 (E_RNA) where: Base-Base interactions energy: -501.533 where: short stacking energy: -220.490 Base-Backbone interact. energy: 0.407 local terms energy: -267.101305 where: bonds (distance) C4'-P energy: -60.225 bonds (distance) P-C4' energy: -57.265 flat angles C4'-P-C4' energy: -59.826 flat angles P-C4'-P energy: -36.058 tors. eta vs tors. theta energy: -53.727 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: 8 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -421.031328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.031328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.031328 (E_RNA) where: Base-Base interactions energy: -219.897 where: short stacking energy: -123.343 Base-Backbone interact. energy: 3.018 local terms energy: -204.152338 where: bonds (distance) C4'-P energy: -49.326 bonds (distance) P-C4' energy: -61.758 flat angles C4'-P-C4' energy: -52.891 flat angles P-C4'-P energy: -33.642 tors. eta vs tors. theta energy: -6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -338.222321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.222321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.222321 (E_RNA) where: Base-Base interactions energy: -146.874 where: short stacking energy: -102.674 Base-Backbone interact. energy: -0.617 local terms energy: -190.732085 where: bonds (distance) C4'-P energy: -53.963 bonds (distance) P-C4' energy: -50.875 flat angles C4'-P-C4' energy: -60.031 flat angles P-C4'-P energy: -23.607 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -272.374125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.374125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.374125 (E_RNA) where: Base-Base interactions energy: -97.312 where: short stacking energy: -67.771 Base-Backbone interact. energy: 3.288 local terms energy: -178.349636 where: bonds (distance) C4'-P energy: -54.434 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -42.778 flat angles P-C4'-P energy: -20.710 tors. eta vs tors. theta energy: -2.556 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: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1091.856822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.856822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.856822 (E_RNA) where: Base-Base interactions energy: -750.897 where: short stacking energy: -340.042 Base-Backbone interact. energy: -0.466 local terms energy: -340.493748 where: bonds (distance) C4'-P energy: -62.370 bonds (distance) P-C4' energy: -61.201 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -99.942 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: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1003.072659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.072659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.072659 (E_RNA) where: Base-Base interactions energy: -682.791 where: short stacking energy: -306.956 Base-Backbone interact. energy: 1.033 local terms energy: -321.314855 where: bonds (distance) C4'-P energy: -67.145 bonds (distance) P-C4' energy: -54.606 flat angles C4'-P-C4' energy: -68.761 flat angles P-C4'-P energy: -41.037 tors. eta vs tors. theta energy: -89.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1035.912540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.912540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.912540 (E_RNA) where: Base-Base interactions energy: -715.750 where: short stacking energy: -308.910 Base-Backbone interact. energy: -2.708 local terms energy: -317.454392 where: bonds (distance) C4'-P energy: -56.894 bonds (distance) P-C4' energy: -63.269 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -36.707 tors. eta vs tors. theta energy: -97.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -906.733713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.733713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.733713 (E_RNA) where: Base-Base interactions energy: -594.411 where: short stacking energy: -259.419 Base-Backbone interact. energy: -2.796 local terms energy: -309.526552 where: bonds (distance) C4'-P energy: -47.950 bonds (distance) P-C4' energy: -64.796 flat angles C4'-P-C4' energy: -66.892 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -80.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -820.082338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.082338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.082338 (E_RNA) where: Base-Base interactions energy: -535.336 where: short stacking energy: -247.742 Base-Backbone interact. energy: 0.064 local terms energy: -284.810780 where: bonds (distance) C4'-P energy: -57.037 bonds (distance) P-C4' energy: -65.562 flat angles C4'-P-C4' energy: -60.087 flat angles P-C4'-P energy: -37.559 tors. eta vs tors. theta energy: -64.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -790.522382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.522382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.522382 (E_RNA) where: Base-Base interactions energy: -510.441 where: short stacking energy: -226.888 Base-Backbone interact. energy: 1.020 local terms energy: -281.101861 where: bonds (distance) C4'-P energy: -52.246 bonds (distance) P-C4' energy: -52.830 flat angles C4'-P-C4' energy: -65.166 flat angles P-C4'-P energy: -43.423 tors. eta vs tors. theta energy: -67.436 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: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -763.423183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.423183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.423183 (E_RNA) where: Base-Base interactions energy: -494.549 where: short stacking energy: -211.037 Base-Backbone interact. energy: -0.877 local terms energy: -267.997108 where: bonds (distance) C4'-P energy: -65.336 bonds (distance) P-C4' energy: -52.175 flat angles C4'-P-C4' energy: -68.838 flat angles P-C4'-P energy: -33.768 tors. eta vs tors. theta energy: -47.880 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: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -477.836127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.836127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.836127 (E_RNA) where: Base-Base interactions energy: -273.044 where: short stacking energy: -154.861 Base-Backbone interact. energy: -1.297 local terms energy: -203.495757 where: bonds (distance) C4'-P energy: -38.240 bonds (distance) P-C4' energy: -61.258 flat angles C4'-P-C4' energy: -58.415 flat angles P-C4'-P energy: -27.161 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -336.699725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.699725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.699725 (E_RNA) where: Base-Base interactions energy: -163.121 where: short stacking energy: -109.846 Base-Backbone interact. energy: -0.120 local terms energy: -173.459411 where: bonds (distance) C4'-P energy: -50.830 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -43.806 flat angles P-C4'-P energy: -16.114 tors. eta vs tors. theta energy: -5.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -290.925958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.925958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.925958 (E_RNA) where: Base-Base interactions energy: -118.793 where: short stacking energy: -84.619 Base-Backbone interact. energy: 1.758 local terms energy: -173.890814 where: bonds (distance) C4'-P energy: -44.694 bonds (distance) P-C4' energy: -42.497 flat angles C4'-P-C4' energy: -45.036 flat angles P-C4'-P energy: -38.066 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1070.927105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.927105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.927105 (E_RNA) where: Base-Base interactions energy: -713.049 where: short stacking energy: -321.335 Base-Backbone interact. energy: -2.775 local terms energy: -355.103759 where: bonds (distance) C4'-P energy: -62.240 bonds (distance) P-C4' energy: -67.930 flat angles C4'-P-C4' energy: -78.176 flat angles P-C4'-P energy: -51.511 tors. eta vs tors. theta energy: -95.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1062.734905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.734905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.734905 (E_RNA) where: Base-Base interactions energy: -712.417 where: short stacking energy: -310.111 Base-Backbone interact. energy: -1.098 local terms energy: -349.219975 where: bonds (distance) C4'-P energy: -65.131 bonds (distance) P-C4' energy: -62.469 flat angles C4'-P-C4' energy: -70.424 flat angles P-C4'-P energy: -55.033 tors. eta vs tors. theta energy: -96.162 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -977.391595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.391595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.391595 (E_RNA) where: Base-Base interactions energy: -658.577 where: short stacking energy: -278.973 Base-Backbone interact. energy: 1.969 local terms energy: -320.784098 where: bonds (distance) C4'-P energy: -58.243 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -72.164 flat angles P-C4'-P energy: -41.502 tors. eta vs tors. theta energy: -85.557 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: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -917.287476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.287476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.287476 (E_RNA) where: Base-Base interactions energy: -588.181 where: short stacking energy: -296.296 Base-Backbone interact. energy: -0.496 local terms energy: -328.610146 where: bonds (distance) C4'-P energy: -58.738 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -74.057 flat angles P-C4'-P energy: -42.491 tors. eta vs tors. theta energy: -88.094 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: 453 Temperature: 1.100000 Total energy: -834.421559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.421559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.421559 (E_RNA) where: Base-Base interactions energy: -537.755 where: short stacking energy: -228.275 Base-Backbone interact. energy: 0.917 local terms energy: -297.583440 where: bonds (distance) C4'-P energy: -65.952 bonds (distance) P-C4' energy: -61.912 flat angles C4'-P-C4' energy: -70.086 flat angles P-C4'-P energy: -41.049 tors. eta vs tors. theta energy: -58.583 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: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -789.158742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.158742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.158742 (E_RNA) where: Base-Base interactions energy: -510.618 where: short stacking energy: -247.526 Base-Backbone interact. energy: -0.269 local terms energy: -278.271358 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -63.382 flat angles C4'-P-C4' energy: -53.160 flat angles P-C4'-P energy: -34.575 tors. eta vs tors. theta energy: -68.418 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: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -779.901731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.901731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.901731 (E_RNA) where: Base-Base interactions energy: -518.767 where: short stacking energy: -231.812 Base-Backbone interact. energy: -0.182 local terms energy: -260.952354 where: bonds (distance) C4'-P energy: -49.215 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -36.106 tors. eta vs tors. theta energy: -57.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -482.865910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.865910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.865910 (E_RNA) where: Base-Base interactions energy: -272.257 where: short stacking energy: -149.359 Base-Backbone interact. energy: -1.638 local terms energy: -208.970465 where: bonds (distance) C4'-P energy: -46.126 bonds (distance) P-C4' energy: -52.931 flat angles C4'-P-C4' energy: -57.254 flat angles P-C4'-P energy: -34.378 tors. eta vs tors. theta energy: -18.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -323.155752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.155752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.155752 (E_RNA) where: Base-Base interactions energy: -143.477 where: short stacking energy: -98.391 Base-Backbone interact. energy: 0.836 local terms energy: -180.515474 where: bonds (distance) C4'-P energy: -57.442 bonds (distance) P-C4' energy: -60.453 flat angles C4'-P-C4' energy: -39.982 flat angles P-C4'-P energy: -31.142 tors. eta vs tors. theta energy: 8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -274.799782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.799782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.799782 (E_RNA) where: Base-Base interactions energy: -115.171 where: short stacking energy: -67.351 Base-Backbone interact. energy: 0.530 local terms energy: -160.159150 where: bonds (distance) C4'-P energy: -57.674 bonds (distance) P-C4' energy: -42.912 flat angles C4'-P-C4' energy: -53.348 flat angles P-C4'-P energy: -23.240 tors. eta vs tors. theta energy: 17.015 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: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1088.090777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.090777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.090777 (E_RNA) where: Base-Base interactions energy: -741.989 where: short stacking energy: -322.873 Base-Backbone interact. energy: 2.986 local terms energy: -349.087601 where: bonds (distance) C4'-P energy: -71.218 bonds (distance) P-C4' energy: -64.412 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -51.164 tors. eta vs tors. theta energy: -96.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1065.799118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.799118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.799118 (E_RNA) where: Base-Base interactions energy: -734.625 where: short stacking energy: -318.249 Base-Backbone interact. energy: -2.221 local terms energy: -328.953264 where: bonds (distance) C4'-P energy: -57.439 bonds (distance) P-C4' energy: -69.913 flat angles C4'-P-C4' energy: -65.824 flat angles P-C4'-P energy: -45.778 tors. eta vs tors. theta energy: -89.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -976.515396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.515396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.515396 (E_RNA) where: Base-Base interactions energy: -680.450 where: short stacking energy: -287.328 Base-Backbone interact. energy: -0.438 local terms energy: -295.627338 where: bonds (distance) C4'-P energy: -57.242 bonds (distance) P-C4' energy: -53.369 flat angles C4'-P-C4' energy: -63.074 flat angles P-C4'-P energy: -49.148 tors. eta vs tors. theta energy: -72.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -934.122159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.122159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.122159 (E_RNA) where: Base-Base interactions energy: -605.385 where: short stacking energy: -293.154 Base-Backbone interact. energy: -0.225 local terms energy: -328.512239 where: bonds (distance) C4'-P energy: -60.978 bonds (distance) P-C4' energy: -64.946 flat angles C4'-P-C4' energy: -66.204 flat angles P-C4'-P energy: -41.823 tors. eta vs tors. theta energy: -94.562 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: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -882.474126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.474126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.474126 (E_RNA) where: Base-Base interactions energy: -588.070 where: short stacking energy: -255.095 Base-Backbone interact. energy: -2.449 local terms energy: -291.954997 where: bonds (distance) C4'-P energy: -60.085 bonds (distance) P-C4' energy: -59.566 flat angles C4'-P-C4' energy: -70.017 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -61.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -795.869155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.869155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.869155 (E_RNA) where: Base-Base interactions energy: -560.775 where: short stacking energy: -275.248 Base-Backbone interact. energy: -0.392 local terms energy: -234.702576 where: bonds (distance) C4'-P energy: -34.847 bonds (distance) P-C4' energy: -41.976 flat angles C4'-P-C4' energy: -54.850 flat angles P-C4'-P energy: -37.224 tors. eta vs tors. theta energy: -65.807 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: 454 Temperature: 1.200000 Total energy: -788.192878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.192878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.192878 (E_RNA) where: Base-Base interactions energy: -522.694 where: short stacking energy: -230.755 Base-Backbone interact. energy: -2.174 local terms energy: -263.324603 where: bonds (distance) C4'-P energy: -56.899 bonds (distance) P-C4' energy: -50.543 flat angles C4'-P-C4' energy: -55.526 flat angles P-C4'-P energy: -37.384 tors. eta vs tors. theta energy: -62.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -462.431540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.431540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.431540 (E_RNA) where: Base-Base interactions energy: -239.174 where: short stacking energy: -144.539 Base-Backbone interact. energy: 5.118 local terms energy: -228.375796 where: bonds (distance) C4'-P energy: -65.463 bonds (distance) P-C4' energy: -60.353 flat angles C4'-P-C4' energy: -53.072 flat angles P-C4'-P energy: -28.509 tors. eta vs tors. theta energy: -20.979 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: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -385.821572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.821572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.821572 (E_RNA) where: Base-Base interactions energy: -177.932 where: short stacking energy: -101.531 Base-Backbone interact. energy: 3.302 local terms energy: -211.192031 where: bonds (distance) C4'-P energy: -51.434 bonds (distance) P-C4' energy: -55.146 flat angles C4'-P-C4' energy: -55.673 flat angles P-C4'-P energy: -29.121 tors. eta vs tors. theta energy: -19.818 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: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -268.158299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.158299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.158299 (E_RNA) where: Base-Base interactions energy: -99.655 where: short stacking energy: -92.315 Base-Backbone interact. energy: -0.915 local terms energy: -167.588231 where: bonds (distance) C4'-P energy: -32.430 bonds (distance) P-C4' energy: -46.268 flat angles C4'-P-C4' energy: -50.288 flat angles P-C4'-P energy: -27.600 tors. eta vs tors. theta energy: -11.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1076.534613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.534613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.534613 (E_RNA) where: Base-Base interactions energy: -735.793 where: short stacking energy: -328.314 Base-Backbone interact. energy: -2.414 local terms energy: -338.326977 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -61.045 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -51.007 tors. eta vs tors. theta energy: -100.447 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: 2, replica: 9 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1059.157970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.157970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.157970 (E_RNA) where: Base-Base interactions energy: -731.317 where: short stacking energy: -326.135 Base-Backbone interact. energy: -1.690 local terms energy: -326.150929 where: bonds (distance) C4'-P energy: -62.438 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -72.084 flat angles P-C4'-P energy: -41.395 tors. eta vs tors. theta energy: -92.073 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: 455 Temperature: 1.000000 Total energy: -963.943640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.943640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.943640 (E_RNA) where: Base-Base interactions energy: -654.569 where: short stacking energy: -264.981 Base-Backbone interact. energy: -1.588 local terms energy: -307.787463 where: bonds (distance) C4'-P energy: -55.384 bonds (distance) P-C4' energy: -69.290 flat angles C4'-P-C4' energy: -70.721 flat angles P-C4'-P energy: -40.662 tors. eta vs tors. theta energy: -71.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -899.151597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.151597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.151597 (E_RNA) where: Base-Base interactions energy: -597.849 where: short stacking energy: -268.207 Base-Backbone interact. energy: -1.237 local terms energy: -300.064650 where: bonds (distance) C4'-P energy: -55.308 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -50.455 tors. eta vs tors. theta energy: -67.730 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: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -886.535689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.535689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.535689 (E_RNA) where: Base-Base interactions energy: -574.097 where: short stacking energy: -267.189 Base-Backbone interact. energy: -1.337 local terms energy: -311.102014 where: bonds (distance) C4'-P energy: -55.014 bonds (distance) P-C4' energy: -66.421 flat angles C4'-P-C4' energy: -62.315 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -85.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -802.902665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.902665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.902665 (E_RNA) where: Base-Base interactions energy: -536.868 where: short stacking energy: -223.247 Base-Backbone interact. energy: 0.352 local terms energy: -266.386090 where: bonds (distance) C4'-P energy: -54.765 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -35.735 tors. eta vs tors. theta energy: -50.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -733.639859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.639859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.639859 (E_RNA) where: Base-Base interactions energy: -455.305 where: short stacking energy: -203.285 Base-Backbone interact. energy: -1.085 local terms energy: -277.249873 where: bonds (distance) C4'-P energy: -55.200 bonds (distance) P-C4' energy: -53.198 flat angles C4'-P-C4' energy: -59.822 flat angles P-C4'-P energy: -48.204 tors. eta vs tors. theta energy: -60.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -487.950936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.950936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.950936 (E_RNA) where: Base-Base interactions energy: -254.959 where: short stacking energy: -147.328 Base-Backbone interact. energy: 4.910 local terms energy: -237.902216 where: bonds (distance) C4'-P energy: -58.493 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -53.938 flat angles P-C4'-P energy: -34.018 tors. eta vs tors. theta energy: -28.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -345.607512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.607512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.607512 (E_RNA) where: Base-Base interactions energy: -169.943 where: short stacking energy: -84.151 Base-Backbone interact. energy: -0.254 local terms energy: -175.409949 where: bonds (distance) C4'-P energy: -55.180 bonds (distance) P-C4' energy: -58.282 flat angles C4'-P-C4' energy: -50.285 flat angles P-C4'-P energy: -29.640 tors. eta vs tors. theta energy: 17.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -263.212666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.212666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.212666 (E_RNA) where: Base-Base interactions energy: -101.107 where: short stacking energy: -78.412 Base-Backbone interact. energy: -0.177 local terms energy: -161.929017 where: bonds (distance) C4'-P energy: -44.522 bonds (distance) P-C4' energy: -61.420 flat angles C4'-P-C4' energy: -55.675 flat angles P-C4'-P energy: -16.523 tors. eta vs tors. theta energy: 16.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1102.440199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.440199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.440199 (E_RNA) where: Base-Base interactions energy: -751.758 where: short stacking energy: -329.463 Base-Backbone interact. energy: -1.997 local terms energy: -348.684891 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -73.043 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -45.821 tors. eta vs tors. theta energy: -94.523 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: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1034.883313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.883313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.883313 (E_RNA) where: Base-Base interactions energy: -706.296 where: short stacking energy: -301.591 Base-Backbone interact. energy: -2.183 local terms energy: -326.403949 where: bonds (distance) C4'-P energy: -67.386 bonds (distance) P-C4' energy: -63.131 flat angles C4'-P-C4' energy: -65.189 flat angles P-C4'-P energy: -45.602 tors. eta vs tors. theta energy: -85.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -965.601177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.601177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.601177 (E_RNA) where: Base-Base interactions energy: -659.801 where: short stacking energy: -288.396 Base-Backbone interact. energy: -2.002 local terms energy: -303.798871 where: bonds (distance) C4'-P energy: -63.591 bonds (distance) P-C4' energy: -62.052 flat angles C4'-P-C4' energy: -60.869 flat angles P-C4'-P energy: -36.754 tors. eta vs tors. theta energy: -80.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -880.314452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.314452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.314452 (E_RNA) where: Base-Base interactions energy: -597.058 where: short stacking energy: -269.707 Base-Backbone interact. energy: -2.228 local terms energy: -281.028012 where: bonds (distance) C4'-P energy: -52.085 bonds (distance) P-C4' energy: -62.003 flat angles C4'-P-C4' energy: -61.696 flat angles P-C4'-P energy: -33.597 tors. eta vs tors. theta energy: -71.647 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: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -877.582484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.582484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.582484 (E_RNA) where: Base-Base interactions energy: -569.969 where: short stacking energy: -287.312 Base-Backbone interact. energy: -1.100 local terms energy: -306.513391 where: bonds (distance) C4'-P energy: -58.546 bonds (distance) P-C4' energy: -57.856 flat angles C4'-P-C4' energy: -74.973 flat angles P-C4'-P energy: -38.208 tors. eta vs tors. theta energy: -76.931 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: 456 Temperature: 1.150000 Total energy: -799.590020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.590020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.590020 (E_RNA) where: Base-Base interactions energy: -523.204 where: short stacking energy: -217.460 Base-Backbone interact. energy: -1.384 local terms energy: -275.002594 where: bonds (distance) C4'-P energy: -60.358 bonds (distance) P-C4' energy: -60.539 flat angles C4'-P-C4' energy: -58.273 flat angles P-C4'-P energy: -41.148 tors. eta vs tors. theta energy: -54.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -705.442407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.442407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.442407 (E_RNA) where: Base-Base interactions energy: -462.846 where: short stacking energy: -201.872 Base-Backbone interact. energy: 4.238 local terms energy: -246.834195 where: bonds (distance) C4'-P energy: -45.109 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -56.436 flat angles P-C4'-P energy: -34.047 tors. eta vs tors. theta energy: -52.750 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: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -456.266959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.266959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.266959 (E_RNA) where: Base-Base interactions energy: -216.891 where: short stacking energy: -120.207 Base-Backbone interact. energy: -0.028 local terms energy: -239.347843 where: bonds (distance) C4'-P energy: -58.290 bonds (distance) P-C4' energy: -59.348 flat angles C4'-P-C4' energy: -58.210 flat angles P-C4'-P energy: -31.485 tors. eta vs tors. theta energy: -32.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -278.782235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.782235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.782235 (E_RNA) where: Base-Base interactions energy: -117.947 where: short stacking energy: -100.709 Base-Backbone interact. energy: -0.220 local terms energy: -160.615079 where: bonds (distance) C4'-P energy: -45.065 bonds (distance) P-C4' energy: -42.955 flat angles C4'-P-C4' energy: -54.561 flat angles P-C4'-P energy: -26.024 tors. eta vs tors. theta energy: 7.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -271.002068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.002068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.002068 (E_RNA) where: Base-Base interactions energy: -108.674 where: short stacking energy: -93.992 Base-Backbone interact. energy: 1.969 local terms energy: -164.297688 where: bonds (distance) C4'-P energy: -36.916 bonds (distance) P-C4' energy: -56.895 flat angles C4'-P-C4' energy: -37.065 flat angles P-C4'-P energy: -32.783 tors. eta vs tors. theta energy: -0.639 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: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1101.705788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.705788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.705788 (E_RNA) where: Base-Base interactions energy: -752.023 where: short stacking energy: -335.518 Base-Backbone interact. energy: -1.154 local terms energy: -348.528404 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -70.788 flat angles C4'-P-C4' energy: -70.591 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -95.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1043.029583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.029583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.029583 (E_RNA) where: Base-Base interactions energy: -724.575 where: short stacking energy: -308.515 Base-Backbone interact. energy: -1.263 local terms energy: -317.191229 where: bonds (distance) C4'-P energy: -55.515 bonds (distance) P-C4' energy: -62.823 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -48.346 tors. eta vs tors. theta energy: -78.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -970.858288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.858288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.858288 (E_RNA) where: Base-Base interactions energy: -666.704 where: short stacking energy: -278.943 Base-Backbone interact. energy: -1.474 local terms energy: -302.680934 where: bonds (distance) C4'-P energy: -57.575 bonds (distance) P-C4' energy: -66.605 flat angles C4'-P-C4' energy: -61.100 flat angles P-C4'-P energy: -33.554 tors. eta vs tors. theta energy: -83.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -910.285952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.285952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.285952 (E_RNA) where: Base-Base interactions energy: -617.867 where: short stacking energy: -276.712 Base-Backbone interact. energy: -2.031 local terms energy: -290.387935 where: bonds (distance) C4'-P energy: -50.400 bonds (distance) P-C4' energy: -54.618 flat angles C4'-P-C4' energy: -72.615 flat angles P-C4'-P energy: -41.269 tors. eta vs tors. theta energy: -71.486 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: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -913.596132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.596132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.596132 (E_RNA) where: Base-Base interactions energy: -596.493 where: short stacking energy: -286.402 Base-Backbone interact. energy: -0.679 local terms energy: -316.424302 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -56.601 flat angles C4'-P-C4' energy: -67.716 flat angles P-C4'-P energy: -44.181 tors. eta vs tors. theta energy: -90.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -803.540808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.540808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.540808 (E_RNA) where: Base-Base interactions energy: -520.445 where: short stacking energy: -227.151 Base-Backbone interact. energy: -2.034 local terms energy: -281.062091 where: bonds (distance) C4'-P energy: -53.574 bonds (distance) P-C4' energy: -59.935 flat angles C4'-P-C4' energy: -65.207 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -56.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -743.672003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.672003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.672003 (E_RNA) where: Base-Base interactions energy: -476.578 where: short stacking energy: -220.716 Base-Backbone interact. energy: -0.447 local terms energy: -266.647225 where: bonds (distance) C4'-P energy: -53.915 bonds (distance) P-C4' energy: -51.647 flat angles C4'-P-C4' energy: -60.278 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -57.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -466.743822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.743822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.743822 (E_RNA) where: Base-Base interactions energy: -252.503 where: short stacking energy: -141.260 Base-Backbone interact. energy: 1.417 local terms energy: -215.658592 where: bonds (distance) C4'-P energy: -60.512 bonds (distance) P-C4' energy: -50.005 flat angles C4'-P-C4' energy: -47.856 flat angles P-C4'-P energy: -32.583 tors. eta vs tors. theta energy: -24.702 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: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -279.129104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.129104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.129104 (E_RNA) where: Base-Base interactions energy: -110.544 where: short stacking energy: -68.336 Base-Backbone interact. energy: -1.624 local terms energy: -166.961185 where: bonds (distance) C4'-P energy: -41.884 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -45.598 flat angles P-C4'-P energy: -27.971 tors. eta vs tors. theta energy: 11.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -269.247123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.247123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.247123 (E_RNA) where: Base-Base interactions energy: -97.949 where: short stacking energy: -86.943 Base-Backbone interact. energy: -1.200 local terms energy: -170.098086 where: bonds (distance) C4'-P energy: -35.752 bonds (distance) P-C4' energy: -46.618 flat angles C4'-P-C4' energy: -53.672 flat angles P-C4'-P energy: -28.191 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1067.451886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.451886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.451886 (E_RNA) where: Base-Base interactions energy: -736.994 where: short stacking energy: -323.009 Base-Backbone interact. energy: -2.971 local terms energy: -327.487643 where: bonds (distance) C4'-P energy: -63.225 bonds (distance) P-C4' energy: -56.667 flat angles C4'-P-C4' energy: -70.337 flat angles P-C4'-P energy: -47.872 tors. eta vs tors. theta energy: -89.387 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: 9 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1071.654460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.654460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.654460 (E_RNA) where: Base-Base interactions energy: -732.116 where: short stacking energy: -334.429 Base-Backbone interact. energy: 0.330 local terms energy: -339.868249 where: bonds (distance) C4'-P energy: -61.646 bonds (distance) P-C4' energy: -57.683 flat angles C4'-P-C4' energy: -73.903 flat angles P-C4'-P energy: -48.517 tors. eta vs tors. theta energy: -98.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -995.530995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.530995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.530995 (E_RNA) where: Base-Base interactions energy: -677.847 where: short stacking energy: -298.420 Base-Backbone interact. energy: -1.895 local terms energy: -315.788127 where: bonds (distance) C4'-P energy: -63.241 bonds (distance) P-C4' energy: -64.089 flat angles C4'-P-C4' energy: -65.716 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: -80.996 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: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -909.352776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.352776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.352776 (E_RNA) where: Base-Base interactions energy: -606.666 where: short stacking energy: -277.294 Base-Backbone interact. energy: -1.481 local terms energy: -301.206179 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -54.648 flat angles C4'-P-C4' energy: -63.589 flat angles P-C4'-P energy: -49.193 tors. eta vs tors. theta energy: -77.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -909.008951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.008951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.008951 (E_RNA) where: Base-Base interactions energy: -603.931 where: short stacking energy: -268.058 Base-Backbone interact. energy: -0.391 local terms energy: -304.686968 where: bonds (distance) C4'-P energy: -64.518 bonds (distance) P-C4' energy: -58.752 flat angles C4'-P-C4' energy: -67.631 flat angles P-C4'-P energy: -40.820 tors. eta vs tors. theta energy: -72.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -799.717958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.717958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.717958 (E_RNA) where: Base-Base interactions energy: -537.694 where: short stacking energy: -236.726 Base-Backbone interact. energy: -0.049 local terms energy: -261.974889 where: bonds (distance) C4'-P energy: -55.527 bonds (distance) P-C4' energy: -42.596 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -43.585 tors. eta vs tors. theta energy: -59.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -734.516576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.516576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.516576 (E_RNA) where: Base-Base interactions energy: -442.010 where: short stacking energy: -204.805 Base-Backbone interact. energy: -0.860 local terms energy: -291.645844 where: bonds (distance) C4'-P energy: -59.187 bonds (distance) P-C4' energy: -58.048 flat angles C4'-P-C4' energy: -68.322 flat angles P-C4'-P energy: -45.947 tors. eta vs tors. theta energy: -60.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -465.386853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.386853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.386853 (E_RNA) where: Base-Base interactions energy: -242.568 where: short stacking energy: -133.218 Base-Backbone interact. energy: -1.189 local terms energy: -221.630409 where: bonds (distance) C4'-P energy: -55.585 bonds (distance) P-C4' energy: -53.393 flat angles C4'-P-C4' energy: -48.999 flat angles P-C4'-P energy: -43.734 tors. eta vs tors. theta energy: -19.919 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: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -280.444761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.444761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.444761 (E_RNA) where: Base-Base interactions energy: -103.278 where: short stacking energy: -69.234 Base-Backbone interact. energy: 2.049 local terms energy: -179.216161 where: bonds (distance) C4'-P energy: -57.995 bonds (distance) P-C4' energy: -59.737 flat angles C4'-P-C4' energy: -53.214 flat angles P-C4'-P energy: -16.490 tors. eta vs tors. theta energy: 8.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -254.084751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.084751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.084751 (E_RNA) where: Base-Base interactions energy: -95.643 where: short stacking energy: -79.277 Base-Backbone interact. energy: 4.929 local terms energy: -163.370734 where: bonds (distance) C4'-P energy: -55.161 bonds (distance) P-C4' energy: -44.132 flat angles C4'-P-C4' energy: -52.797 flat angles P-C4'-P energy: -24.677 tors. eta vs tors. theta energy: 13.396 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: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1075.784972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.784972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.784972 (E_RNA) where: Base-Base interactions energy: -730.282 where: short stacking energy: -317.360 Base-Backbone interact. energy: -0.197 local terms energy: -345.305807 where: bonds (distance) C4'-P energy: -60.509 bonds (distance) P-C4' energy: -74.741 flat angles C4'-P-C4' energy: -73.941 flat angles P-C4'-P energy: -48.511 tors. eta vs tors. theta energy: -87.604 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: 9 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1059.633841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.633841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.633841 (E_RNA) where: Base-Base interactions energy: -721.694 where: short stacking energy: -321.590 Base-Backbone interact. energy: -2.143 local terms energy: -335.796862 where: bonds (distance) C4'-P energy: -67.170 bonds (distance) P-C4' energy: -62.905 flat angles C4'-P-C4' energy: -63.400 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: -98.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -999.595561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.595561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.595561 (E_RNA) where: Base-Base interactions energy: -688.168 where: short stacking energy: -308.827 Base-Backbone interact. energy: 0.403 local terms energy: -311.829658 where: bonds (distance) C4'-P energy: -61.139 bonds (distance) P-C4' energy: -54.511 flat angles C4'-P-C4' energy: -70.711 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -79.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -942.081316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.081316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.081316 (E_RNA) where: Base-Base interactions energy: -626.478 where: short stacking energy: -289.752 Base-Backbone interact. energy: -0.566 local terms energy: -315.037751 where: bonds (distance) C4'-P energy: -55.535 bonds (distance) P-C4' energy: -63.676 flat angles C4'-P-C4' energy: -66.692 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -85.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -874.520268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.520268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.520268 (E_RNA) where: Base-Base interactions energy: -590.011 where: short stacking energy: -264.430 Base-Backbone interact. energy: -2.849 local terms energy: -281.659716 where: bonds (distance) C4'-P energy: -53.655 bonds (distance) P-C4' energy: -50.119 flat angles C4'-P-C4' energy: -63.171 flat angles P-C4'-P energy: -36.293 tors. eta vs tors. theta energy: -78.422 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: 459 Temperature: 1.150000 Total energy: -795.716755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.716755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.716755 (E_RNA) where: Base-Base interactions energy: -527.237 where: short stacking energy: -234.366 Base-Backbone interact. energy: -2.287 local terms energy: -266.192547 where: bonds (distance) C4'-P energy: -50.408 bonds (distance) P-C4' energy: -52.134 flat angles C4'-P-C4' energy: -61.645 flat angles P-C4'-P energy: -43.383 tors. eta vs tors. theta energy: -58.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -701.225253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.225253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.225253 (E_RNA) where: Base-Base interactions energy: -452.438 where: short stacking energy: -206.546 Base-Backbone interact. energy: 0.780 local terms energy: -249.567036 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -55.920 flat angles C4'-P-C4' energy: -57.130 flat angles P-C4'-P energy: -34.938 tors. eta vs tors. theta energy: -48.562 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: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -486.303432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.303432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.303432 (E_RNA) where: Base-Base interactions energy: -264.054 where: short stacking energy: -155.507 Base-Backbone interact. energy: -0.477 local terms energy: -221.772842 where: bonds (distance) C4'-P energy: -57.778 bonds (distance) P-C4' energy: -58.925 flat angles C4'-P-C4' energy: -48.188 flat angles P-C4'-P energy: -25.814 tors. eta vs tors. theta energy: -31.069 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: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -293.874636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.874636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.874636 (E_RNA) where: Base-Base interactions energy: -114.637 where: short stacking energy: -81.418 Base-Backbone interact. energy: 0.648 local terms energy: -179.885767 where: bonds (distance) C4'-P energy: -52.794 bonds (distance) P-C4' energy: -59.592 flat angles C4'-P-C4' energy: -52.342 flat angles P-C4'-P energy: -33.886 tors. eta vs tors. theta energy: 18.728 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: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -267.006763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.006763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.006763 (E_RNA) where: Base-Base interactions energy: -86.179 where: short stacking energy: -76.821 Base-Backbone interact. energy: -1.751 local terms energy: -179.077271 where: bonds (distance) C4'-P energy: -38.545 bonds (distance) P-C4' energy: -55.450 flat angles C4'-P-C4' energy: -48.684 flat angles P-C4'-P energy: -40.096 tors. eta vs tors. theta energy: 3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1082.523342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.523342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.523342 (E_RNA) where: Base-Base interactions energy: -740.480 where: short stacking energy: -314.504 Base-Backbone interact. energy: -1.820 local terms energy: -340.224099 where: bonds (distance) C4'-P energy: -58.415 bonds (distance) P-C4' energy: -67.907 flat angles C4'-P-C4' energy: -76.734 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: -90.764 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: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1043.165243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.165243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.165243 (E_RNA) where: Base-Base interactions energy: -706.693 where: short stacking energy: -326.009 Base-Backbone interact. energy: -0.054 local terms energy: -336.417890 where: bonds (distance) C4'-P energy: -64.602 bonds (distance) P-C4' energy: -68.749 flat angles C4'-P-C4' energy: -74.485 flat angles P-C4'-P energy: -39.455 tors. eta vs tors. theta energy: -89.128 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: 460 Temperature: 1.000000 Total energy: -981.588338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.588338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.588338 (E_RNA) where: Base-Base interactions energy: -654.666 where: short stacking energy: -310.673 Base-Backbone interact. energy: -3.216 local terms energy: -323.705919 where: bonds (distance) C4'-P energy: -52.140 bonds (distance) P-C4' energy: -56.169 flat angles C4'-P-C4' energy: -75.659 flat angles P-C4'-P energy: -49.041 tors. eta vs tors. theta energy: -90.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -966.210230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.210230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.210230 (E_RNA) where: Base-Base interactions energy: -659.690 where: short stacking energy: -282.517 Base-Backbone interact. energy: -1.936 local terms energy: -304.584184 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -68.030 flat angles P-C4'-P energy: -32.603 tors. eta vs tors. theta energy: -78.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -850.005084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.005084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.005084 (E_RNA) where: Base-Base interactions energy: -559.314 where: short stacking energy: -240.121 Base-Backbone interact. energy: -0.434 local terms energy: -290.257691 where: bonds (distance) C4'-P energy: -48.392 bonds (distance) P-C4' energy: -69.475 flat angles C4'-P-C4' energy: -56.279 flat angles P-C4'-P energy: -49.674 tors. eta vs tors. theta energy: -66.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -808.546811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.546811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.546811 (E_RNA) where: Base-Base interactions energy: -550.044 where: short stacking energy: -238.373 Base-Backbone interact. energy: -0.869 local terms energy: -257.634167 where: bonds (distance) C4'-P energy: -53.959 bonds (distance) P-C4' energy: -58.797 flat angles C4'-P-C4' energy: -59.136 flat angles P-C4'-P energy: -23.070 tors. eta vs tors. theta energy: -62.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -743.423290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.423290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.423290 (E_RNA) where: Base-Base interactions energy: -491.142 where: short stacking energy: -223.411 Base-Backbone interact. energy: -0.408 local terms energy: -251.873885 where: bonds (distance) C4'-P energy: -43.233 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -60.052 flat angles P-C4'-P energy: -28.958 tors. eta vs tors. theta energy: -64.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -457.306029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.306029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.306029 (E_RNA) where: Base-Base interactions energy: -275.839 where: short stacking energy: -125.465 Base-Backbone interact. energy: 4.639 local terms energy: -186.106489 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -59.575 flat angles C4'-P-C4' energy: -45.624 flat angles P-C4'-P energy: -26.598 tors. eta vs tors. theta energy: 2.469 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: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -318.704695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.704695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.704695 (E_RNA) where: Base-Base interactions energy: -132.273 where: short stacking energy: -108.580 Base-Backbone interact. energy: -0.394 local terms energy: -186.037647 where: bonds (distance) C4'-P energy: -55.660 bonds (distance) P-C4' energy: -60.387 flat angles C4'-P-C4' energy: -42.223 flat angles P-C4'-P energy: -14.496 tors. eta vs tors. theta energy: -13.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -259.797078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.797078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.797078 (E_RNA) where: Base-Base interactions energy: -89.891 where: short stacking energy: -68.311 Base-Backbone interact. energy: -0.188 local terms energy: -169.718072 where: bonds (distance) C4'-P energy: -40.691 bonds (distance) P-C4' energy: -62.240 flat angles C4'-P-C4' energy: -39.573 flat angles P-C4'-P energy: -32.691 tors. eta vs tors. theta energy: 5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1090.323960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.323960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.323960 (E_RNA) where: Base-Base interactions energy: -738.577 where: short stacking energy: -302.678 Base-Backbone interact. energy: -1.822 local terms energy: -349.925578 where: bonds (distance) C4'-P energy: -72.200 bonds (distance) P-C4' energy: -62.183 flat angles C4'-P-C4' energy: -75.279 flat angles P-C4'-P energy: -50.086 tors. eta vs tors. theta energy: -90.178 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: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1054.180479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.180479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.180479 (E_RNA) where: Base-Base interactions energy: -714.588 where: short stacking energy: -327.777 Base-Backbone interact. energy: -0.566 local terms energy: -339.026243 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -69.696 flat angles C4'-P-C4' energy: -65.331 flat angles P-C4'-P energy: -43.768 tors. eta vs tors. theta energy: -99.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -975.342015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.342015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.342015 (E_RNA) where: Base-Base interactions energy: -650.100 where: short stacking energy: -307.186 Base-Backbone interact. energy: -0.423 local terms energy: -324.819007 where: bonds (distance) C4'-P energy: -55.979 bonds (distance) P-C4' energy: -64.464 flat angles C4'-P-C4' energy: -69.992 flat angles P-C4'-P energy: -44.387 tors. eta vs tors. theta energy: -89.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -954.230963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.230963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.230963 (E_RNA) where: Base-Base interactions energy: -638.183 where: short stacking energy: -274.967 Base-Backbone interact. energy: -2.668 local terms energy: -313.379836 where: bonds (distance) C4'-P energy: -57.952 bonds (distance) P-C4' energy: -69.702 flat angles C4'-P-C4' energy: -70.360 flat angles P-C4'-P energy: -40.976 tors. eta vs tors. theta energy: -74.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -826.595117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.595117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.595117 (E_RNA) where: Base-Base interactions energy: -552.972 where: short stacking energy: -227.936 Base-Backbone interact. energy: 1.637 local terms energy: -275.259997 where: bonds (distance) C4'-P energy: -59.505 bonds (distance) P-C4' energy: -55.881 flat angles C4'-P-C4' energy: -48.863 flat angles P-C4'-P energy: -50.589 tors. eta vs tors. theta energy: -60.422 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: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -779.573000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.573000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.573000 (E_RNA) where: Base-Base interactions energy: -491.722 where: short stacking energy: -227.185 Base-Backbone interact. energy: -2.129 local terms energy: -285.722618 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -60.994 flat angles C4'-P-C4' energy: -58.899 flat angles P-C4'-P energy: -43.451 tors. eta vs tors. theta energy: -65.009 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: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -752.414713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.414713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.414713 (E_RNA) where: Base-Base interactions energy: -492.142 where: short stacking energy: -208.132 Base-Backbone interact. energy: -0.906 local terms energy: -259.366385 where: bonds (distance) C4'-P energy: -51.972 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -56.906 flat angles P-C4'-P energy: -35.955 tors. eta vs tors. theta energy: -56.056 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: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -467.677449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.677449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.677449 (E_RNA) where: Base-Base interactions energy: -252.486 where: short stacking energy: -116.151 Base-Backbone interact. energy: -1.128 local terms energy: -214.062854 where: bonds (distance) C4'-P energy: -48.075 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -45.944 flat angles P-C4'-P energy: -32.250 tors. eta vs tors. theta energy: -21.900 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: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -295.828616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.828616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.828616 (E_RNA) where: Base-Base interactions energy: -121.046 where: short stacking energy: -91.920 Base-Backbone interact. energy: -0.093 local terms energy: -174.689769 where: bonds (distance) C4'-P energy: -64.550 bonds (distance) P-C4' energy: -49.422 flat angles C4'-P-C4' energy: -39.366 flat angles P-C4'-P energy: -26.744 tors. eta vs tors. theta energy: 5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -256.222987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.222987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.222987 (E_RNA) where: Base-Base interactions energy: -78.985 where: short stacking energy: -61.613 Base-Backbone interact. energy: 0.070 local terms energy: -177.307978 where: bonds (distance) C4'-P energy: -60.300 bonds (distance) P-C4' energy: -58.221 flat angles C4'-P-C4' energy: -41.655 flat angles P-C4'-P energy: -22.999 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: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1078.051249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.051249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.051249 (E_RNA) where: Base-Base interactions energy: -741.901 where: short stacking energy: -292.700 Base-Backbone interact. energy: -2.756 local terms energy: -333.394152 where: bonds (distance) C4'-P energy: -67.299 bonds (distance) P-C4' energy: -61.786 flat angles C4'-P-C4' energy: -64.574 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -85.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1053.071138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.071138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.071138 (E_RNA) where: Base-Base interactions energy: -703.993 where: short stacking energy: -312.896 Base-Backbone interact. energy: -1.693 local terms energy: -347.384875 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -68.618 flat angles C4'-P-C4' energy: -76.289 flat angles P-C4'-P energy: -49.160 tors. eta vs tors. theta energy: -89.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -993.864756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.864756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.864756 (E_RNA) where: Base-Base interactions energy: -650.633 where: short stacking energy: -321.322 Base-Backbone interact. energy: -2.211 local terms energy: -341.020841 where: bonds (distance) C4'-P energy: -68.694 bonds (distance) P-C4' energy: -67.375 flat angles C4'-P-C4' energy: -67.380 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -97.923 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: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -951.616724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.616724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.616724 (E_RNA) where: Base-Base interactions energy: -651.449 where: short stacking energy: -292.148 Base-Backbone interact. energy: 2.558 local terms energy: -302.725172 where: bonds (distance) C4'-P energy: -60.781 bonds (distance) P-C4' energy: -56.513 flat angles C4'-P-C4' energy: -64.796 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -77.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -835.710853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.710853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.710853 (E_RNA) where: Base-Base interactions energy: -564.996 where: short stacking energy: -239.557 Base-Backbone interact. energy: -1.460 local terms energy: -269.254256 where: bonds (distance) C4'-P energy: -60.664 bonds (distance) P-C4' energy: -54.432 flat angles C4'-P-C4' energy: -60.152 flat angles P-C4'-P energy: -40.250 tors. eta vs tors. theta energy: -53.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -759.013319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.013319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.013319 (E_RNA) where: Base-Base interactions energy: -495.124 where: short stacking energy: -222.506 Base-Backbone interact. energy: -1.349 local terms energy: -262.539959 where: bonds (distance) C4'-P energy: -49.354 bonds (distance) P-C4' energy: -49.714 flat angles C4'-P-C4' energy: -60.045 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: -63.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -769.940753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.940753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.940753 (E_RNA) where: Base-Base interactions energy: -490.285 where: short stacking energy: -239.592 Base-Backbone interact. energy: -2.846 local terms energy: -276.809233 where: bonds (distance) C4'-P energy: -52.338 bonds (distance) P-C4' energy: -57.022 flat angles C4'-P-C4' energy: -66.012 flat angles P-C4'-P energy: -33.685 tors. eta vs tors. theta energy: -67.752 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: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -443.695852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.695852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.695852 (E_RNA) where: Base-Base interactions energy: -230.516 where: short stacking energy: -143.769 Base-Backbone interact. energy: 0.474 local terms energy: -213.653600 where: bonds (distance) C4'-P energy: -52.855 bonds (distance) P-C4' energy: -59.795 flat angles C4'-P-C4' energy: -54.183 flat angles P-C4'-P energy: -35.625 tors. eta vs tors. theta energy: -11.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -309.886871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.886871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.886871 (E_RNA) where: Base-Base interactions energy: -114.825 where: short stacking energy: -99.952 Base-Backbone interact. energy: 1.364 local terms energy: -196.425824 where: bonds (distance) C4'-P energy: -53.026 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -42.818 flat angles P-C4'-P energy: -24.413 tors. eta vs tors. theta energy: -14.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -265.695777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.695777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.695777 (E_RNA) where: Base-Base interactions energy: -89.383 where: short stacking energy: -75.016 Base-Backbone interact. energy: 3.189 local terms energy: -179.501722 where: bonds (distance) C4'-P energy: -52.183 bonds (distance) P-C4' energy: -57.278 flat angles C4'-P-C4' energy: -42.804 flat angles P-C4'-P energy: -33.102 tors. eta vs tors. theta energy: 5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1081.104339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.104339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.104339 (E_RNA) where: Base-Base interactions energy: -724.739 where: short stacking energy: -325.786 Base-Backbone interact. energy: -1.905 local terms energy: -354.460177 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -65.098 flat angles C4'-P-C4' energy: -78.045 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -91.761 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: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1055.126762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.126762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.126762 (E_RNA) where: Base-Base interactions energy: -714.196 where: short stacking energy: -314.503 Base-Backbone interact. energy: -0.295 local terms energy: -340.635938 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -65.479 flat angles C4'-P-C4' energy: -67.406 flat angles P-C4'-P energy: -52.665 tors. eta vs tors. theta energy: -91.052 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: 463 Temperature: 1.000000 Total energy: -983.543028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.543028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.543028 (E_RNA) where: Base-Base interactions energy: -659.549 where: short stacking energy: -305.598 Base-Backbone interact. energy: -1.447 local terms energy: -322.547343 where: bonds (distance) C4'-P energy: -66.766 bonds (distance) P-C4' energy: -50.725 flat angles C4'-P-C4' energy: -73.167 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -90.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -939.753511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.753511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.753511 (E_RNA) where: Base-Base interactions energy: -628.670 where: short stacking energy: -264.700 Base-Backbone interact. energy: -0.252 local terms energy: -310.831237 where: bonds (distance) C4'-P energy: -67.494 bonds (distance) P-C4' energy: -67.853 flat angles C4'-P-C4' energy: -61.262 flat angles P-C4'-P energy: -35.844 tors. eta vs tors. theta energy: -78.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -838.755817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.755817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.755817 (E_RNA) where: Base-Base interactions energy: -544.402 where: short stacking energy: -234.213 Base-Backbone interact. energy: -0.622 local terms energy: -293.731083 where: bonds (distance) C4'-P energy: -52.536 bonds (distance) P-C4' energy: -57.954 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -66.180 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: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -819.693235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.693235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.693235 (E_RNA) where: Base-Base interactions energy: -529.540 where: short stacking energy: -265.470 Base-Backbone interact. energy: -0.669 local terms energy: -289.484260 where: bonds (distance) C4'-P energy: -52.336 bonds (distance) P-C4' energy: -51.828 flat angles C4'-P-C4' energy: -76.018 flat angles P-C4'-P energy: -37.858 tors. eta vs tors. theta energy: -71.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -724.566657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.566657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.566657 (E_RNA) where: Base-Base interactions energy: -456.131 where: short stacking energy: -194.548 Base-Backbone interact. energy: -1.935 local terms energy: -266.500851 where: bonds (distance) C4'-P energy: -66.632 bonds (distance) P-C4' energy: -58.957 flat angles C4'-P-C4' energy: -60.271 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -41.332 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: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -480.239645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.239645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.239645 (E_RNA) where: Base-Base interactions energy: -265.152 where: short stacking energy: -138.502 Base-Backbone interact. energy: 0.306 local terms energy: -215.393939 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -55.688 flat angles C4'-P-C4' energy: -45.105 flat angles P-C4'-P energy: -37.157 tors. eta vs tors. theta energy: -17.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -299.952873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.952873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.952873 (E_RNA) where: Base-Base interactions energy: -109.978 where: short stacking energy: -86.719 Base-Backbone interact. energy: 1.020 local terms energy: -190.994452 where: bonds (distance) C4'-P energy: -47.496 bonds (distance) P-C4' energy: -72.487 flat angles C4'-P-C4' energy: -48.011 flat angles P-C4'-P energy: -25.378 tors. eta vs tors. theta energy: 2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -316.322451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.322451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.322451 (E_RNA) where: Base-Base interactions energy: -129.997 where: short stacking energy: -90.464 Base-Backbone interact. energy: 2.616 local terms energy: -188.941662 where: bonds (distance) C4'-P energy: -50.983 bonds (distance) P-C4' energy: -58.345 flat angles C4'-P-C4' energy: -56.992 flat angles P-C4'-P energy: -31.364 tors. eta vs tors. theta energy: 8.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1094.087328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.087328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.087328 (E_RNA) where: Base-Base interactions energy: -728.075 where: short stacking energy: -335.804 Base-Backbone interact. energy: 0.579 local terms energy: -366.590882 where: bonds (distance) C4'-P energy: -73.322 bonds (distance) P-C4' energy: -67.164 flat angles C4'-P-C4' energy: -74.238 flat angles P-C4'-P energy: -54.972 tors. eta vs tors. theta energy: -96.894 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: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1064.122946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.122946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.122946 (E_RNA) where: Base-Base interactions energy: -730.123 where: short stacking energy: -331.920 Base-Backbone interact. energy: 0.090 local terms energy: -334.090055 where: bonds (distance) C4'-P energy: -52.331 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -43.504 tors. eta vs tors. theta energy: -94.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -990.694541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.694541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.694541 (E_RNA) where: Base-Base interactions energy: -662.499 where: short stacking energy: -286.873 Base-Backbone interact. energy: 1.311 local terms energy: -329.507228 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -71.404 flat angles C4'-P-C4' energy: -74.675 flat angles P-C4'-P energy: -32.146 tors. eta vs tors. theta energy: -84.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -980.859143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.859143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.859143 (E_RNA) where: Base-Base interactions energy: -661.649 where: short stacking energy: -313.015 Base-Backbone interact. energy: -2.606 local terms energy: -316.603871 where: bonds (distance) C4'-P energy: -54.303 bonds (distance) P-C4' energy: -66.182 flat angles C4'-P-C4' energy: -63.136 flat angles P-C4'-P energy: -42.392 tors. eta vs tors. theta energy: -90.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -850.162983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.162983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.162983 (E_RNA) where: Base-Base interactions energy: -579.606 where: short stacking energy: -255.114 Base-Backbone interact. energy: 3.247 local terms energy: -273.804570 where: bonds (distance) C4'-P energy: -53.706 bonds (distance) P-C4' energy: -53.611 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -38.282 tors. eta vs tors. theta energy: -65.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -800.768774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.768774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.768774 (E_RNA) where: Base-Base interactions energy: -518.106 where: short stacking energy: -241.815 Base-Backbone interact. energy: 0.707 local terms energy: -283.369547 where: bonds (distance) C4'-P energy: -50.385 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -64.571 flat angles P-C4'-P energy: -40.829 tors. eta vs tors. theta energy: -69.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -719.196973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.196973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.196973 (E_RNA) where: Base-Base interactions energy: -467.430 where: short stacking energy: -212.039 Base-Backbone interact. energy: -1.868 local terms energy: -249.898557 where: bonds (distance) C4'-P energy: -41.911 bonds (distance) P-C4' energy: -61.393 flat angles C4'-P-C4' energy: -52.804 flat angles P-C4'-P energy: -35.276 tors. eta vs tors. theta energy: -58.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -486.360370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.360370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.360370 (E_RNA) where: Base-Base interactions energy: -259.636 where: short stacking energy: -157.464 Base-Backbone interact. energy: -1.574 local terms energy: -225.150479 where: bonds (distance) C4'-P energy: -47.673 bonds (distance) P-C4' energy: -55.656 flat angles C4'-P-C4' energy: -42.991 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -38.200 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: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -327.920237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.920237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.920237 (E_RNA) where: Base-Base interactions energy: -149.588 where: short stacking energy: -87.607 Base-Backbone interact. energy: -1.588 local terms energy: -176.744707 where: bonds (distance) C4'-P energy: -50.212 bonds (distance) P-C4' energy: -60.857 flat angles C4'-P-C4' energy: -26.307 flat angles P-C4'-P energy: -32.452 tors. eta vs tors. theta energy: -6.917 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: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -293.349490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.349490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.349490 (E_RNA) where: Base-Base interactions energy: -118.386 where: short stacking energy: -93.804 Base-Backbone interact. energy: 1.358 local terms energy: -176.321367 where: bonds (distance) C4'-P energy: -49.228 bonds (distance) P-C4' energy: -55.553 flat angles C4'-P-C4' energy: -46.653 flat angles P-C4'-P energy: -25.886 tors. eta vs tors. theta energy: 1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1087.874319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.874319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.874319 (E_RNA) where: Base-Base interactions energy: -733.019 where: short stacking energy: -327.784 Base-Backbone interact. energy: -3.134 local terms energy: -351.721554 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -72.368 flat angles C4'-P-C4' energy: -68.971 flat angles P-C4'-P energy: -50.970 tors. eta vs tors. theta energy: -93.209 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: 465 Temperature: 0.950000 Total energy: -1061.199818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.199818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.199818 (E_RNA) where: Base-Base interactions energy: -720.118 where: short stacking energy: -321.597 Base-Backbone interact. energy: -4.090 local terms energy: -336.991359 where: bonds (distance) C4'-P energy: -54.549 bonds (distance) P-C4' energy: -61.872 flat angles C4'-P-C4' energy: -73.479 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -95.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1020.461852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.461852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.461852 (E_RNA) where: Base-Base interactions energy: -694.389 where: short stacking energy: -303.446 Base-Backbone interact. energy: -2.404 local terms energy: -323.669219 where: bonds (distance) C4'-P energy: -64.892 bonds (distance) P-C4' energy: -49.162 flat angles C4'-P-C4' energy: -74.531 flat angles P-C4'-P energy: -46.306 tors. eta vs tors. theta energy: -88.778 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: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -970.226383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.226383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.226383 (E_RNA) where: Base-Base interactions energy: -663.267 where: short stacking energy: -311.031 Base-Backbone interact. energy: -0.905 local terms energy: -306.054415 where: bonds (distance) C4'-P energy: -53.642 bonds (distance) P-C4' energy: -58.435 flat angles C4'-P-C4' energy: -68.191 flat angles P-C4'-P energy: -33.309 tors. eta vs tors. theta energy: -92.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -839.305459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.305459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.305459 (E_RNA) where: Base-Base interactions energy: -553.052 where: short stacking energy: -248.360 Base-Backbone interact. energy: -1.715 local terms energy: -284.538920 where: bonds (distance) C4'-P energy: -50.504 bonds (distance) P-C4' energy: -55.871 flat angles C4'-P-C4' energy: -72.062 flat angles P-C4'-P energy: -37.368 tors. eta vs tors. theta energy: -68.734 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: 6, replica: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -773.265448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.265448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.265448 (E_RNA) where: Base-Base interactions energy: -504.260 where: short stacking energy: -225.587 Base-Backbone interact. energy: -0.825 local terms energy: -268.180336 where: bonds (distance) C4'-P energy: -43.616 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -65.947 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -50.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -775.722618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.722618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.722618 (E_RNA) where: Base-Base interactions energy: -499.548 where: short stacking energy: -234.441 Base-Backbone interact. energy: 2.742 local terms energy: -278.917566 where: bonds (distance) C4'-P energy: -49.133 bonds (distance) P-C4' energy: -64.638 flat angles C4'-P-C4' energy: -67.296 flat angles P-C4'-P energy: -30.058 tors. eta vs tors. theta energy: -67.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -466.310564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.310564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.310564 (E_RNA) where: Base-Base interactions energy: -244.800 where: short stacking energy: -139.962 Base-Backbone interact. energy: 1.593 local terms energy: -223.103635 where: bonds (distance) C4'-P energy: -54.174 bonds (distance) P-C4' energy: -56.251 flat angles C4'-P-C4' energy: -56.821 flat angles P-C4'-P energy: -33.750 tors. eta vs tors. theta energy: -22.108 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: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -334.011591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.011591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.011591 (E_RNA) where: Base-Base interactions energy: -156.763 where: short stacking energy: -89.754 Base-Backbone interact. energy: -0.898 local terms energy: -176.350778 where: bonds (distance) C4'-P energy: -56.931 bonds (distance) P-C4' energy: -48.362 flat angles C4'-P-C4' energy: -46.297 flat angles P-C4'-P energy: -28.502 tors. eta vs tors. theta energy: 3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -278.061680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.061680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.061680 (E_RNA) where: Base-Base interactions energy: -109.759 where: short stacking energy: -86.172 Base-Backbone interact. energy: -0.638 local terms energy: -167.664866 where: bonds (distance) C4'-P energy: -55.111 bonds (distance) P-C4' energy: -48.874 flat angles C4'-P-C4' energy: -55.306 flat angles P-C4'-P energy: -16.186 tors. eta vs tors. theta energy: 7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1084.778348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.778348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.778348 (E_RNA) where: Base-Base interactions energy: -745.683 where: short stacking energy: -323.562 Base-Backbone interact. energy: -3.137 local terms energy: -335.957838 where: bonds (distance) C4'-P energy: -64.581 bonds (distance) P-C4' energy: -58.273 flat angles C4'-P-C4' energy: -72.018 flat angles P-C4'-P energy: -44.232 tors. eta vs tors. theta energy: -96.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1050.014074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.014074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.014074 (E_RNA) where: Base-Base interactions energy: -720.601 where: short stacking energy: -334.040 Base-Backbone interact. energy: 0.776 local terms energy: -330.189041 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -66.019 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -99.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -993.484342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.484342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.484342 (E_RNA) where: Base-Base interactions energy: -670.168 where: short stacking energy: -296.553 Base-Backbone interact. energy: -1.119 local terms energy: -322.197042 where: bonds (distance) C4'-P energy: -53.866 bonds (distance) P-C4' energy: -69.253 flat angles C4'-P-C4' energy: -64.290 flat angles P-C4'-P energy: -51.380 tors. eta vs tors. theta energy: -83.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -956.636331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.636331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.636331 (E_RNA) where: Base-Base interactions energy: -646.945 where: short stacking energy: -286.471 Base-Backbone interact. energy: -2.598 local terms energy: -307.093376 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -55.306 flat angles C4'-P-C4' energy: -63.517 flat angles P-C4'-P energy: -44.939 tors. eta vs tors. theta energy: -83.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -823.286498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.286498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.286498 (E_RNA) where: Base-Base interactions energy: -551.865 where: short stacking energy: -239.218 Base-Backbone interact. energy: -0.853 local terms energy: -270.568708 where: bonds (distance) C4'-P energy: -60.797 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -59.649 flat angles P-C4'-P energy: -28.224 tors. eta vs tors. theta energy: -61.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -787.087983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.087983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.087983 (E_RNA) where: Base-Base interactions energy: -514.406 where: short stacking energy: -227.464 Base-Backbone interact. energy: -0.084 local terms energy: -272.597856 where: bonds (distance) C4'-P energy: -49.373 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -62.480 flat angles P-C4'-P energy: -41.854 tors. eta vs tors. theta energy: -58.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -759.253152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.253152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.253152 (E_RNA) where: Base-Base interactions energy: -501.412 where: short stacking energy: -215.459 Base-Backbone interact. energy: 3.128 local terms energy: -260.969317 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -51.895 flat angles C4'-P-C4' energy: -51.829 flat angles P-C4'-P energy: -38.140 tors. eta vs tors. theta energy: -61.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -467.008529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.008529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.008529 (E_RNA) where: Base-Base interactions energy: -253.207 where: short stacking energy: -127.120 Base-Backbone interact. energy: -2.200 local terms energy: -211.601155 where: bonds (distance) C4'-P energy: -57.679 bonds (distance) P-C4' energy: -52.420 flat angles C4'-P-C4' energy: -48.793 flat angles P-C4'-P energy: -31.322 tors. eta vs tors. theta energy: -21.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -360.449146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.449146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.449146 (E_RNA) where: Base-Base interactions energy: -182.344 where: short stacking energy: -109.431 Base-Backbone interact. energy: 2.546 local terms energy: -180.651133 where: bonds (distance) C4'-P energy: -36.255 bonds (distance) P-C4' energy: -48.193 flat angles C4'-P-C4' energy: -52.508 flat angles P-C4'-P energy: -33.734 tors. eta vs tors. theta energy: -9.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -258.305609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.305609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.305609 (E_RNA) where: Base-Base interactions energy: -96.514 where: short stacking energy: -88.816 Base-Backbone interact. energy: 4.256 local terms energy: -166.047610 where: bonds (distance) C4'-P energy: -39.537 bonds (distance) P-C4' energy: -53.029 flat angles C4'-P-C4' energy: -43.070 flat angles P-C4'-P energy: -39.712 tors. eta vs tors. theta energy: 9.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1100.759409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.759409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.759409 (E_RNA) where: Base-Base interactions energy: -731.906 where: short stacking energy: -339.613 Base-Backbone interact. energy: -1.812 local terms energy: -367.040906 where: bonds (distance) C4'-P energy: -65.185 bonds (distance) P-C4' energy: -73.816 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: -101.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -995.548238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.548238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.548238 (E_RNA) where: Base-Base interactions energy: -680.949 where: short stacking energy: -291.387 Base-Backbone interact. energy: 0.014 local terms energy: -314.613314 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -56.743 flat angles C4'-P-C4' energy: -69.708 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: -78.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1017.770553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.770553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.770553 (E_RNA) where: Base-Base interactions energy: -693.807 where: short stacking energy: -304.249 Base-Backbone interact. energy: -1.138 local terms energy: -322.825568 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -69.208 flat angles C4'-P-C4' energy: -67.678 flat angles P-C4'-P energy: -38.015 tors. eta vs tors. theta energy: -91.628 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: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -973.862965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.862965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.862965 (E_RNA) where: Base-Base interactions energy: -648.754 where: short stacking energy: -299.314 Base-Backbone interact. energy: -1.507 local terms energy: -323.601971 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -74.537 flat angles C4'-P-C4' energy: -67.050 flat angles P-C4'-P energy: -35.093 tors. eta vs tors. theta energy: -87.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -789.084333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.084333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.084333 (E_RNA) where: Base-Base interactions energy: -508.259 where: short stacking energy: -231.818 Base-Backbone interact. energy: -0.850 local terms energy: -279.974786 where: bonds (distance) C4'-P energy: -57.631 bonds (distance) P-C4' energy: -60.167 flat angles C4'-P-C4' energy: -58.350 flat angles P-C4'-P energy: -48.817 tors. eta vs tors. theta energy: -55.010 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: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -845.908966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.908966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.908966 (E_RNA) where: Base-Base interactions energy: -550.571 where: short stacking energy: -235.314 Base-Backbone interact. energy: -0.411 local terms energy: -294.926538 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -60.107 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -37.130 tors. eta vs tors. theta energy: -64.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -775.547022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.547022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.547022 (E_RNA) where: Base-Base interactions energy: -500.678 where: short stacking energy: -226.076 Base-Backbone interact. energy: -1.433 local terms energy: -273.435377 where: bonds (distance) C4'-P energy: -53.414 bonds (distance) P-C4' energy: -51.862 flat angles C4'-P-C4' energy: -67.730 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: -60.975 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: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -482.146728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.146728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.146728 (E_RNA) where: Base-Base interactions energy: -248.944 where: short stacking energy: -126.768 Base-Backbone interact. energy: -1.053 local terms energy: -232.149680 where: bonds (distance) C4'-P energy: -56.870 bonds (distance) P-C4' energy: -67.713 flat angles C4'-P-C4' energy: -48.679 flat angles P-C4'-P energy: -32.326 tors. eta vs tors. theta energy: -26.561 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: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -326.057148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.057148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.057148 (E_RNA) where: Base-Base interactions energy: -159.587 where: short stacking energy: -100.139 Base-Backbone interact. energy: 3.179 local terms energy: -169.649799 where: bonds (distance) C4'-P energy: -38.871 bonds (distance) P-C4' energy: -55.996 flat angles C4'-P-C4' energy: -52.653 flat angles P-C4'-P energy: -22.522 tors. eta vs tors. theta energy: 0.391 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: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -260.519556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.519556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.519556 (E_RNA) where: Base-Base interactions energy: -104.152 where: short stacking energy: -93.156 Base-Backbone interact. energy: 2.831 local terms energy: -159.198514 where: bonds (distance) C4'-P energy: -59.008 bonds (distance) P-C4' energy: -37.860 flat angles C4'-P-C4' energy: -35.112 flat angles P-C4'-P energy: -24.731 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1090.942157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.942157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.942157 (E_RNA) where: Base-Base interactions energy: -760.569 where: short stacking energy: -325.606 Base-Backbone interact. energy: -2.114 local terms energy: -328.259646 where: bonds (distance) C4'-P energy: -52.874 bonds (distance) P-C4' energy: -54.523 flat angles C4'-P-C4' energy: -77.647 flat angles P-C4'-P energy: -49.927 tors. eta vs tors. theta energy: -93.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -986.360471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.360471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.360471 (E_RNA) where: Base-Base interactions energy: -668.782 where: short stacking energy: -298.723 Base-Backbone interact. energy: -1.247 local terms energy: -316.332316 where: bonds (distance) C4'-P energy: -54.930 bonds (distance) P-C4' energy: -64.301 flat angles C4'-P-C4' energy: -69.610 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -79.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1034.704882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.704882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.704882 (E_RNA) where: Base-Base interactions energy: -711.498 where: short stacking energy: -311.833 Base-Backbone interact. energy: -1.900 local terms energy: -321.306402 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -94.043 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: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -975.124195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.124195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.124195 (E_RNA) where: Base-Base interactions energy: -655.758 where: short stacking energy: -293.358 Base-Backbone interact. energy: -0.422 local terms energy: -318.944505 where: bonds (distance) C4'-P energy: -50.490 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -88.661 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: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -859.102174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.102174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.102174 (E_RNA) where: Base-Base interactions energy: -574.186 where: short stacking energy: -263.442 Base-Backbone interact. energy: -2.277 local terms energy: -282.638890 where: bonds (distance) C4'-P energy: -64.300 bonds (distance) P-C4' energy: -54.959 flat angles C4'-P-C4' energy: -60.528 flat angles P-C4'-P energy: -36.651 tors. eta vs tors. theta energy: -66.201 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: 5 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -793.538026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.538026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.538026 (E_RNA) where: Base-Base interactions energy: -526.935 where: short stacking energy: -231.038 Base-Backbone interact. energy: 4.543 local terms energy: -271.146036 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -50.347 flat angles C4'-P-C4' energy: -62.966 flat angles P-C4'-P energy: -42.982 tors. eta vs tors. theta energy: -54.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -740.997682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.997682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.997682 (E_RNA) where: Base-Base interactions energy: -502.957 where: short stacking energy: -233.136 Base-Backbone interact. energy: 0.589 local terms energy: -238.629885 where: bonds (distance) C4'-P energy: -38.656 bonds (distance) P-C4' energy: -56.988 flat angles C4'-P-C4' energy: -48.871 flat angles P-C4'-P energy: -42.580 tors. eta vs tors. theta energy: -51.536 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: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -489.865268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.865268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.865268 (E_RNA) where: Base-Base interactions energy: -279.304 where: short stacking energy: -141.923 Base-Backbone interact. energy: 0.582 local terms energy: -211.143353 where: bonds (distance) C4'-P energy: -48.014 bonds (distance) P-C4' energy: -56.289 flat angles C4'-P-C4' energy: -51.934 flat angles P-C4'-P energy: -24.536 tors. eta vs tors. theta energy: -30.369 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: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -342.034686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.034686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.034686 (E_RNA) where: Base-Base interactions energy: -163.015 where: short stacking energy: -102.628 Base-Backbone interact. energy: -0.915 local terms energy: -178.104057 where: bonds (distance) C4'-P energy: -53.741 bonds (distance) P-C4' energy: -57.474 flat angles C4'-P-C4' energy: -43.464 flat angles P-C4'-P energy: -27.621 tors. eta vs tors. theta energy: 4.195 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: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -320.970207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.970207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.970207 (E_RNA) where: Base-Base interactions energy: -144.856 where: short stacking energy: -99.112 Base-Backbone interact. energy: 0.158 local terms energy: -176.271430 where: bonds (distance) C4'-P energy: -56.218 bonds (distance) P-C4' energy: -54.800 flat angles C4'-P-C4' energy: -47.966 flat angles P-C4'-P energy: -17.902 tors. eta vs tors. theta energy: 0.614 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: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1061.109283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.109283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.109283 (E_RNA) where: Base-Base interactions energy: -729.789 where: short stacking energy: -315.619 Base-Backbone interact. energy: -1.878 local terms energy: -329.442364 where: bonds (distance) C4'-P energy: -52.537 bonds (distance) P-C4' energy: -69.277 flat angles C4'-P-C4' energy: -72.733 flat angles P-C4'-P energy: -42.180 tors. eta vs tors. theta energy: -92.716 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: 2, replica: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1015.763861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.763861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.763861 (E_RNA) where: Base-Base interactions energy: -687.372 where: short stacking energy: -309.073 Base-Backbone interact. energy: -2.829 local terms energy: -325.562818 where: bonds (distance) C4'-P energy: -58.803 bonds (distance) P-C4' energy: -68.145 flat angles C4'-P-C4' energy: -59.297 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -89.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1012.435344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.435344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.435344 (E_RNA) where: Base-Base interactions energy: -695.640 where: short stacking energy: -299.923 Base-Backbone interact. energy: 2.825 local terms energy: -319.620245 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -61.155 flat angles P-C4'-P energy: -45.000 tors. eta vs tors. theta energy: -87.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -966.925808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.925808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.925808 (E_RNA) where: Base-Base interactions energy: -645.655 where: short stacking energy: -287.529 Base-Backbone interact. energy: -1.422 local terms energy: -319.849414 where: bonds (distance) C4'-P energy: -60.902 bonds (distance) P-C4' energy: -61.047 flat angles C4'-P-C4' energy: -69.822 flat angles P-C4'-P energy: -44.379 tors. eta vs tors. theta energy: -83.700 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: 5, replica: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -849.937817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.937817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.937817 (E_RNA) where: Base-Base interactions energy: -568.067 where: short stacking energy: -246.172 Base-Backbone interact. energy: -0.665 local terms energy: -281.206008 where: bonds (distance) C4'-P energy: -43.343 bonds (distance) P-C4' energy: -61.861 flat angles C4'-P-C4' energy: -64.476 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -66.637 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: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -803.733384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.733384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.733384 (E_RNA) where: Base-Base interactions energy: -525.801 where: short stacking energy: -243.213 Base-Backbone interact. energy: -3.363 local terms energy: -274.569681 where: bonds (distance) C4'-P energy: -50.148 bonds (distance) P-C4' energy: -62.739 flat angles C4'-P-C4' energy: -62.001 flat angles P-C4'-P energy: -32.619 tors. eta vs tors. theta energy: -67.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -754.588665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.588665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.588665 (E_RNA) where: Base-Base interactions energy: -485.330 where: short stacking energy: -224.921 Base-Backbone interact. energy: -2.452 local terms energy: -266.806139 where: bonds (distance) C4'-P energy: -54.963 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -58.844 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: -53.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -447.764800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.764800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.764800 (E_RNA) where: Base-Base interactions energy: -228.641 where: short stacking energy: -121.443 Base-Backbone interact. energy: -0.657 local terms energy: -218.466325 where: bonds (distance) C4'-P energy: -65.412 bonds (distance) P-C4' energy: -53.115 flat angles C4'-P-C4' energy: -56.708 flat angles P-C4'-P energy: -26.252 tors. eta vs tors. theta energy: -16.979 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: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -319.948439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.948439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.948439 (E_RNA) where: Base-Base interactions energy: -153.660 where: short stacking energy: -102.834 Base-Backbone interact. energy: 2.819 local terms energy: -169.107399 where: bonds (distance) C4'-P energy: -48.530 bonds (distance) P-C4' energy: -51.630 flat angles C4'-P-C4' energy: -37.781 flat angles P-C4'-P energy: -23.003 tors. eta vs tors. theta energy: -8.164 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: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -321.686849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.686849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.686849 (E_RNA) where: Base-Base interactions energy: -137.150 where: short stacking energy: -78.857 Base-Backbone interact. energy: 0.568 local terms energy: -185.104812 where: bonds (distance) C4'-P energy: -56.010 bonds (distance) P-C4' energy: -56.153 flat angles C4'-P-C4' energy: -54.255 flat angles P-C4'-P energy: -20.842 tors. eta vs tors. theta energy: 2.155 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: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1067.105837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.105837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.105837 (E_RNA) where: Base-Base interactions energy: -723.401 where: short stacking energy: -319.635 Base-Backbone interact. energy: -0.876 local terms energy: -342.829689 where: bonds (distance) C4'-P energy: -61.411 bonds (distance) P-C4' energy: -72.882 flat angles C4'-P-C4' energy: -73.911 flat angles P-C4'-P energy: -39.864 tors. eta vs tors. theta energy: -94.761 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: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1005.370043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.370043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.370043 (E_RNA) where: Base-Base interactions energy: -680.240 where: short stacking energy: -282.197 Base-Backbone interact. energy: -3.130 local terms energy: -322.000724 where: bonds (distance) C4'-P energy: -66.383 bonds (distance) P-C4' energy: -62.681 flat angles C4'-P-C4' energy: -62.918 flat angles P-C4'-P energy: -48.786 tors. eta vs tors. theta energy: -81.233 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: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1012.768178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.768178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.768178 (E_RNA) where: Base-Base interactions energy: -688.502 where: short stacking energy: -294.123 Base-Backbone interact. energy: -4.756 local terms energy: -319.510740 where: bonds (distance) C4'-P energy: -52.586 bonds (distance) P-C4' energy: -66.522 flat angles C4'-P-C4' energy: -73.824 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -77.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -985.765137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.765137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.765137 (E_RNA) where: Base-Base interactions energy: -669.862 where: short stacking energy: -318.654 Base-Backbone interact. energy: -0.741 local terms energy: -315.162733 where: bonds (distance) C4'-P energy: -52.287 bonds (distance) P-C4' energy: -58.880 flat angles C4'-P-C4' energy: -66.422 flat angles P-C4'-P energy: -45.412 tors. eta vs tors. theta energy: -92.162 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: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -821.090564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.090564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.090564 (E_RNA) where: Base-Base interactions energy: -540.085 where: short stacking energy: -245.898 Base-Backbone interact. energy: -0.955 local terms energy: -280.050204 where: bonds (distance) C4'-P energy: -46.026 bonds (distance) P-C4' energy: -73.134 flat angles C4'-P-C4' energy: -56.270 flat angles P-C4'-P energy: -37.058 tors. eta vs tors. theta energy: -67.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -816.159513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.159513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.159513 (E_RNA) where: Base-Base interactions energy: -538.307 where: short stacking energy: -261.658 Base-Backbone interact. energy: 1.872 local terms energy: -279.724537 where: bonds (distance) C4'-P energy: -49.602 bonds (distance) P-C4' energy: -64.091 flat angles C4'-P-C4' energy: -61.690 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -69.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -781.405147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.405147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.405147 (E_RNA) where: Base-Base interactions energy: -501.644 where: short stacking energy: -233.601 Base-Backbone interact. energy: 5.083 local terms energy: -284.844445 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -54.581 flat angles C4'-P-C4' energy: -59.194 flat angles P-C4'-P energy: -45.257 tors. eta vs tors. theta energy: -64.146 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: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -474.123668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.123668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.123668 (E_RNA) where: Base-Base interactions energy: -252.745 where: short stacking energy: -131.690 Base-Backbone interact. energy: 1.913 local terms energy: -223.291887 where: bonds (distance) C4'-P energy: -61.838 bonds (distance) P-C4' energy: -51.510 flat angles C4'-P-C4' energy: -53.703 flat angles P-C4'-P energy: -29.915 tors. eta vs tors. theta energy: -26.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -318.644772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.644772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.644772 (E_RNA) where: Base-Base interactions energy: -138.699 where: short stacking energy: -86.339 Base-Backbone interact. energy: -1.130 local terms energy: -178.815734 where: bonds (distance) C4'-P energy: -55.896 bonds (distance) P-C4' energy: -55.329 flat angles C4'-P-C4' energy: -53.070 flat angles P-C4'-P energy: -27.107 tors. eta vs tors. theta energy: 12.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -254.536781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.536781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.536781 (E_RNA) where: Base-Base interactions energy: -86.646 where: short stacking energy: -77.533 Base-Backbone interact. energy: 1.192 local terms energy: -169.083361 where: bonds (distance) C4'-P energy: -41.327 bonds (distance) P-C4' energy: -55.203 flat angles C4'-P-C4' energy: -32.990 flat angles P-C4'-P energy: -39.199 tors. eta vs tors. theta energy: -0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1070.247396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.247396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.247396 (E_RNA) where: Base-Base interactions energy: -720.385 where: short stacking energy: -309.984 Base-Backbone interact. energy: -2.754 local terms energy: -347.108067 where: bonds (distance) C4'-P energy: -71.455 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -72.877 flat angles P-C4'-P energy: -50.228 tors. eta vs tors. theta energy: -89.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1037.414514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.414514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.414514 (E_RNA) where: Base-Base interactions energy: -712.101 where: short stacking energy: -319.695 Base-Backbone interact. energy: 0.967 local terms energy: -326.280847 where: bonds (distance) C4'-P energy: -61.901 bonds (distance) P-C4' energy: -59.908 flat angles C4'-P-C4' energy: -72.087 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -88.296 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: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1005.250807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.250807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.250807 (E_RNA) where: Base-Base interactions energy: -685.229 where: short stacking energy: -286.839 Base-Backbone interact. energy: -1.481 local terms energy: -318.540049 where: bonds (distance) C4'-P energy: -69.386 bonds (distance) P-C4' energy: -63.855 flat angles C4'-P-C4' energy: -65.402 flat angles P-C4'-P energy: -40.798 tors. eta vs tors. theta energy: -79.099 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -971.397889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.397889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.397889 (E_RNA) where: Base-Base interactions energy: -652.560 where: short stacking energy: -301.303 Base-Backbone interact. energy: -0.478 local terms energy: -318.359893 where: bonds (distance) C4'-P energy: -65.970 bonds (distance) P-C4' energy: -59.282 flat angles C4'-P-C4' energy: -67.378 flat angles P-C4'-P energy: -37.603 tors. eta vs tors. theta energy: -88.127 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: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -834.571949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.571949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.571949 (E_RNA) where: Base-Base interactions energy: -547.398 where: short stacking energy: -244.926 Base-Backbone interact. energy: 0.609 local terms energy: -287.782565 where: bonds (distance) C4'-P energy: -47.415 bonds (distance) P-C4' energy: -66.532 flat angles C4'-P-C4' energy: -68.440 flat angles P-C4'-P energy: -43.354 tors. eta vs tors. theta energy: -62.043 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: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -809.594919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.594919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.594919 (E_RNA) where: Base-Base interactions energy: -526.571 where: short stacking energy: -233.790 Base-Backbone interact. energy: 0.783 local terms energy: -283.807226 where: bonds (distance) C4'-P energy: -49.375 bonds (distance) P-C4' energy: -65.097 flat angles C4'-P-C4' energy: -64.656 flat angles P-C4'-P energy: -48.421 tors. eta vs tors. theta energy: -56.257 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: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -787.264760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.264760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.264760 (E_RNA) where: Base-Base interactions energy: -514.551 where: short stacking energy: -221.882 Base-Backbone interact. energy: -1.543 local terms energy: -271.170958 where: bonds (distance) C4'-P energy: -47.892 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -43.031 tors. eta vs tors. theta energy: -52.241 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: 8, replica: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -512.139785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.139785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.139785 (E_RNA) where: Base-Base interactions energy: -288.681 where: short stacking energy: -165.377 Base-Backbone interact. energy: -2.042 local terms energy: -221.416352 where: bonds (distance) C4'-P energy: -49.025 bonds (distance) P-C4' energy: -59.198 flat angles C4'-P-C4' energy: -59.312 flat angles P-C4'-P energy: -28.788 tors. eta vs tors. theta energy: -25.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -292.862297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.862297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.862297 (E_RNA) where: Base-Base interactions energy: -88.841 where: short stacking energy: -84.359 Base-Backbone interact. energy: -0.570 local terms energy: -203.451301 where: bonds (distance) C4'-P energy: -56.364 bonds (distance) P-C4' energy: -61.118 flat angles C4'-P-C4' energy: -53.380 flat angles P-C4'-P energy: -27.529 tors. eta vs tors. theta energy: -5.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -299.480656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.480656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.480656 (E_RNA) where: Base-Base interactions energy: -139.433 where: short stacking energy: -97.491 Base-Backbone interact. energy: 2.710 local terms energy: -162.756893 where: bonds (distance) C4'-P energy: -54.036 bonds (distance) P-C4' energy: -39.817 flat angles C4'-P-C4' energy: -45.895 flat angles P-C4'-P energy: -26.099 tors. eta vs tors. theta energy: 3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1077.439253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.439253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.439253 (E_RNA) where: Base-Base interactions energy: -734.410 where: short stacking energy: -322.365 Base-Backbone interact. energy: -0.418 local terms energy: -342.610970 where: bonds (distance) C4'-P energy: -71.593 bonds (distance) P-C4' energy: -65.697 flat angles C4'-P-C4' energy: -66.811 flat angles P-C4'-P energy: -46.496 tors. eta vs tors. theta energy: -92.014 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: 9 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1042.526284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.526284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.526284 (E_RNA) where: Base-Base interactions energy: -711.184 where: short stacking energy: -321.027 Base-Backbone interact. energy: -1.274 local terms energy: -330.068663 where: bonds (distance) C4'-P energy: -63.242 bonds (distance) P-C4' energy: -58.169 flat angles C4'-P-C4' energy: -73.073 flat angles P-C4'-P energy: -46.125 tors. eta vs tors. theta energy: -89.459 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: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -981.363947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.363947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.363947 (E_RNA) where: Base-Base interactions energy: -661.740 where: short stacking energy: -283.292 Base-Backbone interact. energy: -1.205 local terms energy: -318.418791 where: bonds (distance) C4'-P energy: -68.793 bonds (distance) P-C4' energy: -61.768 flat angles C4'-P-C4' energy: -71.875 flat angles P-C4'-P energy: -39.266 tors. eta vs tors. theta energy: -76.717 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: 472 Temperature: 1.050000 Total energy: -976.300155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.300155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.300155 (E_RNA) where: Base-Base interactions energy: -651.961 where: short stacking energy: -284.790 Base-Backbone interact. energy: -1.475 local terms energy: -322.864911 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -56.933 flat angles C4'-P-C4' energy: -67.616 flat angles P-C4'-P energy: -50.820 tors. eta vs tors. theta energy: -81.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -873.655632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.655632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.655632 (E_RNA) where: Base-Base interactions energy: -579.179 where: short stacking energy: -266.484 Base-Backbone interact. energy: -1.042 local terms energy: -293.435273 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -57.516 flat angles C4'-P-C4' energy: -68.059 flat angles P-C4'-P energy: -29.962 tors. eta vs tors. theta energy: -72.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -808.874717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.874717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.874717 (E_RNA) where: Base-Base interactions energy: -530.653 where: short stacking energy: -238.067 Base-Backbone interact. energy: -2.574 local terms energy: -275.648203 where: bonds (distance) C4'-P energy: -53.810 bonds (distance) P-C4' energy: -58.744 flat angles C4'-P-C4' energy: -66.534 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: -60.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -727.011029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.011029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.011029 (E_RNA) where: Base-Base interactions energy: -476.763 where: short stacking energy: -232.150 Base-Backbone interact. energy: 4.764 local terms energy: -255.011984 where: bonds (distance) C4'-P energy: -49.185 bonds (distance) P-C4' energy: -64.012 flat angles C4'-P-C4' energy: -49.801 flat angles P-C4'-P energy: -40.676 tors. eta vs tors. theta energy: -51.339 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: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -452.614815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.614815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.614815 (E_RNA) where: Base-Base interactions energy: -257.392 where: short stacking energy: -136.634 Base-Backbone interact. energy: 3.476 local terms energy: -198.698373 where: bonds (distance) C4'-P energy: -50.895 bonds (distance) P-C4' energy: -49.952 flat angles C4'-P-C4' energy: -38.525 flat angles P-C4'-P energy: -33.259 tors. eta vs tors. theta energy: -26.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -289.396005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.396005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.396005 (E_RNA) where: Base-Base interactions energy: -133.117 where: short stacking energy: -95.182 Base-Backbone interact. energy: -0.727 local terms energy: -155.551659 where: bonds (distance) C4'-P energy: -44.261 bonds (distance) P-C4' energy: -57.544 flat angles C4'-P-C4' energy: -54.449 flat angles P-C4'-P energy: -7.726 tors. eta vs tors. theta energy: 8.427 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: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -347.307743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.307743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.307743 (E_RNA) where: Base-Base interactions energy: -163.142 where: short stacking energy: -101.799 Base-Backbone interact. energy: 2.910 local terms energy: -187.076269 where: bonds (distance) C4'-P energy: -57.712 bonds (distance) P-C4' energy: -47.431 flat angles C4'-P-C4' energy: -43.257 flat angles P-C4'-P energy: -29.813 tors. eta vs tors. theta energy: -8.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1072.836590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.836590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.836590 (E_RNA) where: Base-Base interactions energy: -742.703 where: short stacking energy: -325.108 Base-Backbone interact. energy: -0.323 local terms energy: -329.810707 where: bonds (distance) C4'-P energy: -61.772 bonds (distance) P-C4' energy: -71.948 flat angles C4'-P-C4' energy: -64.826 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -88.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1077.487064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.487064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.487064 (E_RNA) where: Base-Base interactions energy: -722.907 where: short stacking energy: -328.692 Base-Backbone interact. energy: -2.974 local terms energy: -351.606521 where: bonds (distance) C4'-P energy: -63.976 bonds (distance) P-C4' energy: -68.639 flat angles C4'-P-C4' energy: -70.490 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -102.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -967.716287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.716287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.716287 (E_RNA) where: Base-Base interactions energy: -664.462 where: short stacking energy: -302.171 Base-Backbone interact. energy: 0.692 local terms energy: -303.946674 where: bonds (distance) C4'-P energy: -63.749 bonds (distance) P-C4' energy: -56.666 flat angles C4'-P-C4' energy: -66.552 flat angles P-C4'-P energy: -36.795 tors. eta vs tors. theta energy: -80.185 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: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -987.894699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.894699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.894699 (E_RNA) where: Base-Base interactions energy: -675.261 where: short stacking energy: -299.922 Base-Backbone interact. energy: -2.830 local terms energy: -309.803776 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -55.135 flat angles C4'-P-C4' energy: -65.379 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -89.162 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: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -832.697801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.697801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.697801 (E_RNA) where: Base-Base interactions energy: -547.761 where: short stacking energy: -250.041 Base-Backbone interact. energy: -0.272 local terms energy: -284.665508 where: bonds (distance) C4'-P energy: -56.208 bonds (distance) P-C4' energy: -55.617 flat angles C4'-P-C4' energy: -72.735 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -54.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -803.580594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.580594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.580594 (E_RNA) where: Base-Base interactions energy: -546.363 where: short stacking energy: -263.950 Base-Backbone interact. energy: 1.038 local terms energy: -258.255876 where: bonds (distance) C4'-P energy: -49.472 bonds (distance) P-C4' energy: -49.030 flat angles C4'-P-C4' energy: -64.842 flat angles P-C4'-P energy: -29.447 tors. eta vs tors. theta energy: -65.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -735.861977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.861977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.861977 (E_RNA) where: Base-Base interactions energy: -480.211 where: short stacking energy: -220.904 Base-Backbone interact. energy: -0.691 local terms energy: -254.959912 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -44.830 flat angles C4'-P-C4' energy: -60.007 flat angles P-C4'-P energy: -30.563 tors. eta vs tors. theta energy: -57.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -465.498975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.498975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.498975 (E_RNA) where: Base-Base interactions energy: -255.256 where: short stacking energy: -145.733 Base-Backbone interact. energy: -1.812 local terms energy: -208.430795 where: bonds (distance) C4'-P energy: -50.771 bonds (distance) P-C4' energy: -54.176 flat angles C4'-P-C4' energy: -54.282 flat angles P-C4'-P energy: -32.882 tors. eta vs tors. theta energy: -16.321 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: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -281.711334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.711334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.711334 (E_RNA) where: Base-Base interactions energy: -86.875 where: short stacking energy: -80.462 Base-Backbone interact. energy: 3.431 local terms energy: -198.267828 where: bonds (distance) C4'-P energy: -57.183 bonds (distance) P-C4' energy: -59.923 flat angles C4'-P-C4' energy: -51.755 flat angles P-C4'-P energy: -24.580 tors. eta vs tors. theta energy: -4.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -309.139184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.139184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.139184 (E_RNA) where: Base-Base interactions energy: -126.651 where: short stacking energy: -72.707 Base-Backbone interact. energy: -1.086 local terms energy: -181.402851 where: bonds (distance) C4'-P energy: -64.101 bonds (distance) P-C4' energy: -61.094 flat angles C4'-P-C4' energy: -33.116 flat angles P-C4'-P energy: -29.940 tors. eta vs tors. theta energy: 6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1083.781050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.781050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.781050 (E_RNA) where: Base-Base interactions energy: -742.422 where: short stacking energy: -336.806 Base-Backbone interact. energy: 3.181 local terms energy: -344.540101 where: bonds (distance) C4'-P energy: -54.978 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -72.088 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -100.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1060.755430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.755430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.755430 (E_RNA) where: Base-Base interactions energy: -725.314 where: short stacking energy: -314.975 Base-Backbone interact. energy: -0.850 local terms energy: -334.591595 where: bonds (distance) C4'-P energy: -63.930 bonds (distance) P-C4' energy: -63.089 flat angles C4'-P-C4' energy: -75.948 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -89.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -993.783103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.783103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.783103 (E_RNA) where: Base-Base interactions energy: -674.856 where: short stacking energy: -314.591 Base-Backbone interact. energy: -1.579 local terms energy: -317.348497 where: bonds (distance) C4'-P energy: -53.964 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -74.409 flat angles P-C4'-P energy: -42.492 tors. eta vs tors. theta energy: -86.602 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: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -937.116464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.116464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.116464 (E_RNA) where: Base-Base interactions energy: -640.439 where: short stacking energy: -290.574 Base-Backbone interact. energy: -1.609 local terms energy: -295.067894 where: bonds (distance) C4'-P energy: -47.143 bonds (distance) P-C4' energy: -58.151 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -41.124 tors. eta vs tors. theta energy: -78.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -861.133362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.133362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.133362 (E_RNA) where: Base-Base interactions energy: -558.447 where: short stacking energy: -259.422 Base-Backbone interact. energy: -2.377 local terms energy: -300.309421 where: bonds (distance) C4'-P energy: -55.618 bonds (distance) P-C4' energy: -58.073 flat angles C4'-P-C4' energy: -75.765 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -70.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -760.896782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.896782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.896782 (E_RNA) where: Base-Base interactions energy: -506.855 where: short stacking energy: -230.935 Base-Backbone interact. energy: 0.181 local terms energy: -254.223043 where: bonds (distance) C4'-P energy: -47.333 bonds (distance) P-C4' energy: -50.300 flat angles C4'-P-C4' energy: -53.665 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: -59.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -761.603717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.603717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.603717 (E_RNA) where: Base-Base interactions energy: -516.260 where: short stacking energy: -229.378 Base-Backbone interact. energy: -1.268 local terms energy: -244.075810 where: bonds (distance) C4'-P energy: -59.115 bonds (distance) P-C4' energy: -55.275 flat angles C4'-P-C4' energy: -48.028 flat angles P-C4'-P energy: -28.080 tors. eta vs tors. theta energy: -53.577 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: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -495.149100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.149100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.149100 (E_RNA) where: Base-Base interactions energy: -301.289 where: short stacking energy: -164.197 Base-Backbone interact. energy: -0.443 local terms energy: -193.416890 where: bonds (distance) C4'-P energy: -51.872 bonds (distance) P-C4' energy: -43.869 flat angles C4'-P-C4' energy: -51.922 flat angles P-C4'-P energy: -32.451 tors. eta vs tors. theta energy: -13.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -284.860779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.860779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.860779 (E_RNA) where: Base-Base interactions energy: -131.842 where: short stacking energy: -93.220 Base-Backbone interact. energy: 5.931 local terms energy: -158.949900 where: bonds (distance) C4'-P energy: -45.325 bonds (distance) P-C4' energy: -51.287 flat angles C4'-P-C4' energy: -30.455 flat angles P-C4'-P energy: -31.995 tors. eta vs tors. theta energy: 0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -266.552128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.552128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.552128 (E_RNA) where: Base-Base interactions energy: -82.402 where: short stacking energy: -62.559 Base-Backbone interact. energy: -0.766 local terms energy: -183.384906 where: bonds (distance) C4'-P energy: -49.989 bonds (distance) P-C4' energy: -66.088 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: 25.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1075.758061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.758061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.758061 (E_RNA) where: Base-Base interactions energy: -727.619 where: short stacking energy: -330.877 Base-Backbone interact. energy: -1.572 local terms energy: -346.566604 where: bonds (distance) C4'-P energy: -60.852 bonds (distance) P-C4' energy: -71.354 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -92.909 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: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1039.346623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.346623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.346623 (E_RNA) where: Base-Base interactions energy: -708.170 where: short stacking energy: -301.421 Base-Backbone interact. energy: 1.714 local terms energy: -332.890303 where: bonds (distance) C4'-P energy: -56.339 bonds (distance) P-C4' energy: -65.755 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -48.726 tors. eta vs tors. theta energy: -91.181 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: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1004.109220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.109220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.109220 (E_RNA) where: Base-Base interactions energy: -685.029 where: short stacking energy: -292.109 Base-Backbone interact. energy: -1.494 local terms energy: -317.585363 where: bonds (distance) C4'-P energy: -53.826 bonds (distance) P-C4' energy: -65.512 flat angles C4'-P-C4' energy: -70.085 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -82.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -959.842149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.842149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.842149 (E_RNA) where: Base-Base interactions energy: -646.214 where: short stacking energy: -296.597 Base-Backbone interact. energy: -1.790 local terms energy: -311.837893 where: bonds (distance) C4'-P energy: -63.519 bonds (distance) P-C4' energy: -53.902 flat angles C4'-P-C4' energy: -62.977 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -85.080 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: 475 Temperature: 1.100000 Total energy: -854.281967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.281967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.281967 (E_RNA) where: Base-Base interactions energy: -561.454 where: short stacking energy: -253.597 Base-Backbone interact. energy: -1.330 local terms energy: -291.498487 where: bonds (distance) C4'-P energy: -61.326 bonds (distance) P-C4' energy: -54.834 flat angles C4'-P-C4' energy: -61.787 flat angles P-C4'-P energy: -38.486 tors. eta vs tors. theta energy: -75.066 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: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -794.648030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.648030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.648030 (E_RNA) where: Base-Base interactions energy: -513.145 where: short stacking energy: -239.520 Base-Backbone interact. energy: 1.942 local terms energy: -283.445386 where: bonds (distance) C4'-P energy: -55.650 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -65.232 flat angles P-C4'-P energy: -39.949 tors. eta vs tors. theta energy: -57.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -771.672362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.672362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.672362 (E_RNA) where: Base-Base interactions energy: -511.696 where: short stacking energy: -240.701 Base-Backbone interact. energy: 1.349 local terms energy: -261.326041 where: bonds (distance) C4'-P energy: -50.718 bonds (distance) P-C4' energy: -57.192 flat angles C4'-P-C4' energy: -62.161 flat angles P-C4'-P energy: -40.445 tors. eta vs tors. theta energy: -50.810 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: 8, replica: 8 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -469.254405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.254405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.254405 (E_RNA) where: Base-Base interactions energy: -272.686 where: short stacking energy: -155.392 Base-Backbone interact. energy: 0.079 local terms energy: -196.647298 where: bonds (distance) C4'-P energy: -45.641 bonds (distance) P-C4' energy: -50.183 flat angles C4'-P-C4' energy: -58.601 flat angles P-C4'-P energy: -29.767 tors. eta vs tors. theta energy: -12.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -317.361060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.361060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.361060 (E_RNA) where: Base-Base interactions energy: -121.165 where: short stacking energy: -79.622 Base-Backbone interact. energy: -0.572 local terms energy: -195.623796 where: bonds (distance) C4'-P energy: -55.799 bonds (distance) P-C4' energy: -54.725 flat angles C4'-P-C4' energy: -51.735 flat angles P-C4'-P energy: -31.581 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -260.034849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.034849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.034849 (E_RNA) where: Base-Base interactions energy: -97.659 where: short stacking energy: -87.883 Base-Backbone interact. energy: 0.767 local terms energy: -163.142084 where: bonds (distance) C4'-P energy: -40.267 bonds (distance) P-C4' energy: -50.093 flat angles C4'-P-C4' energy: -49.078 flat angles P-C4'-P energy: -22.188 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1068.074640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.074640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.074640 (E_RNA) where: Base-Base interactions energy: -730.652 where: short stacking energy: -321.122 Base-Backbone interact. energy: -2.568 local terms energy: -334.855095 where: bonds (distance) C4'-P energy: -57.594 bonds (distance) P-C4' energy: -53.800 flat angles C4'-P-C4' energy: -73.887 flat angles P-C4'-P energy: -53.235 tors. eta vs tors. theta energy: -96.339 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: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1047.562811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.562811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.562811 (E_RNA) where: Base-Base interactions energy: -720.554 where: short stacking energy: -305.376 Base-Backbone interact. energy: -1.512 local terms energy: -325.496553 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -56.734 flat angles C4'-P-C4' energy: -69.638 flat angles P-C4'-P energy: -43.382 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: 3, replica: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -995.449689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.449689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.449689 (E_RNA) where: Base-Base interactions energy: -667.309 where: short stacking energy: -295.241 Base-Backbone interact. energy: -0.554 local terms energy: -327.587059 where: bonds (distance) C4'-P energy: -64.159 bonds (distance) P-C4' energy: -63.602 flat angles C4'-P-C4' energy: -73.048 flat angles P-C4'-P energy: -46.595 tors. eta vs tors. theta energy: -80.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -999.302710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.302710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.302710 (E_RNA) where: Base-Base interactions energy: -679.099 where: short stacking energy: -299.639 Base-Backbone interact. energy: -1.573 local terms energy: -318.631568 where: bonds (distance) C4'-P energy: -65.181 bonds (distance) P-C4' energy: -52.881 flat angles C4'-P-C4' energy: -65.750 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -90.345 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: 476 Temperature: 1.100000 Total energy: -905.516403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.516403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.516403 (E_RNA) where: Base-Base interactions energy: -605.814 where: short stacking energy: -287.198 Base-Backbone interact. energy: -1.226 local terms energy: -298.476080 where: bonds (distance) C4'-P energy: -51.980 bonds (distance) P-C4' energy: -55.551 flat angles C4'-P-C4' energy: -65.425 flat angles P-C4'-P energy: -46.469 tors. eta vs tors. theta energy: -79.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -817.236875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.236875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.236875 (E_RNA) where: Base-Base interactions energy: -544.429 where: short stacking energy: -260.264 Base-Backbone interact. energy: -1.705 local terms energy: -271.103015 where: bonds (distance) C4'-P energy: -51.969 bonds (distance) P-C4' energy: -53.433 flat angles C4'-P-C4' energy: -65.728 flat angles P-C4'-P energy: -40.761 tors. eta vs tors. theta energy: -59.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -739.451462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.451462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.451462 (E_RNA) where: Base-Base interactions energy: -471.682 where: short stacking energy: -215.156 Base-Backbone interact. energy: -2.242 local terms energy: -265.527243 where: bonds (distance) C4'-P energy: -54.114 bonds (distance) P-C4' energy: -53.176 flat angles C4'-P-C4' energy: -62.819 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -60.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -490.742328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.742328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.742328 (E_RNA) where: Base-Base interactions energy: -259.424 where: short stacking energy: -137.848 Base-Backbone interact. energy: -0.570 local terms energy: -230.748430 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -66.283 flat angles C4'-P-C4' energy: -55.010 flat angles P-C4'-P energy: -26.740 tors. eta vs tors. theta energy: -23.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -280.117319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.117319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.117319 (E_RNA) where: Base-Base interactions energy: -89.635 where: short stacking energy: -71.345 Base-Backbone interact. energy: -0.631 local terms energy: -189.851182 where: bonds (distance) C4'-P energy: -38.094 bonds (distance) P-C4' energy: -67.115 flat angles C4'-P-C4' energy: -53.895 flat angles P-C4'-P energy: -34.100 tors. eta vs tors. theta energy: 3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -281.871935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.871935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.871935 (E_RNA) where: Base-Base interactions energy: -117.509 where: short stacking energy: -85.527 Base-Backbone interact. energy: -0.468 local terms energy: -163.895065 where: bonds (distance) C4'-P energy: -58.112 bonds (distance) P-C4' energy: -49.839 flat angles C4'-P-C4' energy: -38.593 flat angles P-C4'-P energy: -19.647 tors. eta vs tors. theta energy: 2.295 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: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1057.638719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.638719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.638719 (E_RNA) where: Base-Base interactions energy: -707.064 where: short stacking energy: -309.117 Base-Backbone interact. energy: -3.502 local terms energy: -347.072227 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -73.435 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -93.506 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: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1038.750388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.750388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.750388 (E_RNA) where: Base-Base interactions energy: -715.324 where: short stacking energy: -312.809 Base-Backbone interact. energy: 0.120 local terms energy: -323.546616 where: bonds (distance) C4'-P energy: -64.480 bonds (distance) P-C4' energy: -54.234 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -88.563 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: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -973.429114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.429114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.429114 (E_RNA) where: Base-Base interactions energy: -670.891 where: short stacking energy: -286.717 Base-Backbone interact. energy: 0.133 local terms energy: -302.670728 where: bonds (distance) C4'-P energy: -60.714 bonds (distance) P-C4' energy: -57.836 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -35.279 tors. eta vs tors. theta energy: -80.360 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: 3 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -993.171923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.171923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.171923 (E_RNA) where: Base-Base interactions energy: -654.636 where: short stacking energy: -293.948 Base-Backbone interact. energy: -0.614 local terms energy: -337.921689 where: bonds (distance) C4'-P energy: -64.152 bonds (distance) P-C4' energy: -58.656 flat angles C4'-P-C4' energy: -65.090 flat angles P-C4'-P energy: -49.502 tors. eta vs tors. theta energy: -100.522 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: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -850.794095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.794095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.794095 (E_RNA) where: Base-Base interactions energy: -548.421 where: short stacking energy: -257.261 Base-Backbone interact. energy: 3.581 local terms energy: -305.953225 where: bonds (distance) C4'-P energy: -53.881 bonds (distance) P-C4' energy: -70.324 flat angles C4'-P-C4' energy: -59.512 flat angles P-C4'-P energy: -46.479 tors. eta vs tors. theta energy: -75.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -790.501838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.501838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.501838 (E_RNA) where: Base-Base interactions energy: -505.775 where: short stacking energy: -223.511 Base-Backbone interact. energy: 0.226 local terms energy: -284.953095 where: bonds (distance) C4'-P energy: -68.204 bonds (distance) P-C4' energy: -62.485 flat angles C4'-P-C4' energy: -67.570 flat angles P-C4'-P energy: -27.736 tors. eta vs tors. theta energy: -58.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -714.146718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.146718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.146718 (E_RNA) where: Base-Base interactions energy: -451.987 where: short stacking energy: -211.163 Base-Backbone interact. energy: 0.761 local terms energy: -262.920563 where: bonds (distance) C4'-P energy: -57.258 bonds (distance) P-C4' energy: -60.325 flat angles C4'-P-C4' energy: -59.794 flat angles P-C4'-P energy: -30.278 tors. eta vs tors. theta energy: -55.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -500.415159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.415159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.415159 (E_RNA) where: Base-Base interactions energy: -290.878 where: short stacking energy: -138.877 Base-Backbone interact. energy: -0.478 local terms energy: -209.059639 where: bonds (distance) C4'-P energy: -49.640 bonds (distance) P-C4' energy: -64.870 flat angles C4'-P-C4' energy: -54.167 flat angles P-C4'-P energy: -29.195 tors. eta vs tors. theta energy: -11.188 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: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -282.586480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.586480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.586480 (E_RNA) where: Base-Base interactions energy: -110.376 where: short stacking energy: -75.831 Base-Backbone interact. energy: -1.157 local terms energy: -171.054090 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -55.002 flat angles C4'-P-C4' energy: -38.812 flat angles P-C4'-P energy: -37.095 tors. eta vs tors. theta energy: 13.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -301.284058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.284058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.284058 (E_RNA) where: Base-Base interactions energy: -129.060 where: short stacking energy: -92.523 Base-Backbone interact. energy: 0.148 local terms energy: -172.372440 where: bonds (distance) C4'-P energy: -41.429 bonds (distance) P-C4' energy: -52.929 flat angles C4'-P-C4' energy: -61.167 flat angles P-C4'-P energy: -18.070 tors. eta vs tors. theta energy: 1.223 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: 1, replica: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1073.202318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.202318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.202318 (E_RNA) where: Base-Base interactions energy: -739.051 where: short stacking energy: -319.878 Base-Backbone interact. energy: -0.396 local terms energy: -333.755300 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -64.248 flat angles C4'-P-C4' energy: -76.570 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: -87.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1036.049292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.049292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.049292 (E_RNA) where: Base-Base interactions energy: -702.958 where: short stacking energy: -299.984 Base-Backbone interact. energy: 0.566 local terms energy: -333.657997 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -65.242 flat angles C4'-P-C4' energy: -70.164 flat angles P-C4'-P energy: -47.147 tors. eta vs tors. theta energy: -91.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1024.702878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.702878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.702878 (E_RNA) where: Base-Base interactions energy: -679.599 where: short stacking energy: -296.232 Base-Backbone interact. energy: -1.105 local terms energy: -343.999264 where: bonds (distance) C4'-P energy: -62.823 bonds (distance) P-C4' energy: -68.296 flat angles C4'-P-C4' energy: -75.274 flat angles P-C4'-P energy: -47.567 tors. eta vs tors. theta energy: -90.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -970.904263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.904263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.904263 (E_RNA) where: Base-Base interactions energy: -671.219 where: short stacking energy: -303.041 Base-Backbone interact. energy: 0.888 local terms energy: -300.573287 where: bonds (distance) C4'-P energy: -59.097 bonds (distance) P-C4' energy: -50.986 flat angles C4'-P-C4' energy: -69.678 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: -81.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -810.881384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.881384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.881384 (E_RNA) where: Base-Base interactions energy: -542.890 where: short stacking energy: -236.285 Base-Backbone interact. energy: -2.098 local terms energy: -265.893613 where: bonds (distance) C4'-P energy: -58.585 bonds (distance) P-C4' energy: -60.600 flat angles C4'-P-C4' energy: -59.638 flat angles P-C4'-P energy: -34.991 tors. eta vs tors. theta energy: -52.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -780.264728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.264728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.264728 (E_RNA) where: Base-Base interactions energy: -511.741 where: short stacking energy: -228.473 Base-Backbone interact. energy: -0.896 local terms energy: -267.626914 where: bonds (distance) C4'-P energy: -49.551 bonds (distance) P-C4' energy: -55.062 flat angles C4'-P-C4' energy: -66.587 flat angles P-C4'-P energy: -41.978 tors. eta vs tors. theta energy: -54.448 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: 478 Temperature: 1.200000 Total energy: -738.269336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.269336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.269336 (E_RNA) where: Base-Base interactions energy: -477.080 where: short stacking energy: -228.649 Base-Backbone interact. energy: -1.674 local terms energy: -259.515129 where: bonds (distance) C4'-P energy: -57.616 bonds (distance) P-C4' energy: -48.951 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -34.292 tors. eta vs tors. theta energy: -64.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -474.780795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.780795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.780795 (E_RNA) where: Base-Base interactions energy: -278.391 where: short stacking energy: -133.782 Base-Backbone interact. energy: 5.437 local terms energy: -201.826475 where: bonds (distance) C4'-P energy: -57.734 bonds (distance) P-C4' energy: -58.962 flat angles C4'-P-C4' energy: -45.608 flat angles P-C4'-P energy: -24.298 tors. eta vs tors. theta energy: -15.225 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: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -331.289460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.289460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.289460 (E_RNA) where: Base-Base interactions energy: -147.183 where: short stacking energy: -103.085 Base-Backbone interact. energy: -0.065 local terms energy: -184.041436 where: bonds (distance) C4'-P energy: -59.362 bonds (distance) P-C4' energy: -51.893 flat angles C4'-P-C4' energy: -39.947 flat angles P-C4'-P energy: -31.804 tors. eta vs tors. theta energy: -1.036 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: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -353.430367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.430367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.430367 (E_RNA) where: Base-Base interactions energy: -167.899 where: short stacking energy: -101.150 Base-Backbone interact. energy: -0.355 local terms energy: -185.176083 where: bonds (distance) C4'-P energy: -52.972 bonds (distance) P-C4' energy: -52.733 flat angles C4'-P-C4' energy: -47.099 flat angles P-C4'-P energy: -27.681 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1068.697295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.697295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.697295 (E_RNA) where: Base-Base interactions energy: -730.468 where: short stacking energy: -313.560 Base-Backbone interact. energy: 0.091 local terms energy: -338.320552 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -63.580 flat angles C4'-P-C4' energy: -74.916 flat angles P-C4'-P energy: -45.511 tors. eta vs tors. theta energy: -86.599 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: 3 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1038.714121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.714121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.714121 (E_RNA) where: Base-Base interactions energy: -719.636 where: short stacking energy: -314.373 Base-Backbone interact. energy: -1.224 local terms energy: -317.853875 where: bonds (distance) C4'-P energy: -57.901 bonds (distance) P-C4' energy: -55.787 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -42.407 tors. eta vs tors. theta energy: -89.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1017.113407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.113407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.113407 (E_RNA) where: Base-Base interactions energy: -687.081 where: short stacking energy: -285.922 Base-Backbone interact. energy: -1.653 local terms energy: -328.379064 where: bonds (distance) C4'-P energy: -62.472 bonds (distance) P-C4' energy: -60.788 flat angles C4'-P-C4' energy: -68.202 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -87.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -949.274883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.274883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.274883 (E_RNA) where: Base-Base interactions energy: -647.991 where: short stacking energy: -275.097 Base-Backbone interact. energy: -0.059 local terms energy: -301.224708 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -54.062 flat angles C4'-P-C4' energy: -61.283 flat angles P-C4'-P energy: -44.455 tors. eta vs tors. theta energy: -75.055 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: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -844.138203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.138203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.138203 (E_RNA) where: Base-Base interactions energy: -552.524 where: short stacking energy: -214.593 Base-Backbone interact. energy: -1.403 local terms energy: -290.211019 where: bonds (distance) C4'-P energy: -57.213 bonds (distance) P-C4' energy: -70.744 flat angles C4'-P-C4' energy: -63.858 flat angles P-C4'-P energy: -40.691 tors. eta vs tors. theta energy: -57.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -795.051523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.051523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.051523 (E_RNA) where: Base-Base interactions energy: -524.092 where: short stacking energy: -242.530 Base-Backbone interact. energy: 1.161 local terms energy: -272.120430 where: bonds (distance) C4'-P energy: -52.305 bonds (distance) P-C4' energy: -61.319 flat angles C4'-P-C4' energy: -59.824 flat angles P-C4'-P energy: -35.214 tors. eta vs tors. theta energy: -63.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -764.918207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.918207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.918207 (E_RNA) where: Base-Base interactions energy: -497.951 where: short stacking energy: -224.649 Base-Backbone interact. energy: 0.513 local terms energy: -267.480834 where: bonds (distance) C4'-P energy: -59.932 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -55.738 flat angles P-C4'-P energy: -37.294 tors. eta vs tors. theta energy: -51.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -495.264475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.264475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.264475 (E_RNA) where: Base-Base interactions energy: -279.777 where: short stacking energy: -145.045 Base-Backbone interact. energy: 1.529 local terms energy: -217.016407 where: bonds (distance) C4'-P energy: -51.724 bonds (distance) P-C4' energy: -60.487 flat angles C4'-P-C4' energy: -48.922 flat angles P-C4'-P energy: -36.135 tors. eta vs tors. theta energy: -19.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -279.860371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.860371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.860371 (E_RNA) where: Base-Base interactions energy: -105.487 where: short stacking energy: -73.718 Base-Backbone interact. energy: -1.403 local terms energy: -172.971040 where: bonds (distance) C4'-P energy: -45.925 bonds (distance) P-C4' energy: -48.013 flat angles C4'-P-C4' energy: -48.047 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: 5.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -360.807008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.807008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.807008 (E_RNA) where: Base-Base interactions energy: -178.610 where: short stacking energy: -108.834 Base-Backbone interact. energy: 1.291 local terms energy: -183.487504 where: bonds (distance) C4'-P energy: -47.502 bonds (distance) P-C4' energy: -47.332 flat angles C4'-P-C4' energy: -47.735 flat angles P-C4'-P energy: -34.156 tors. eta vs tors. theta energy: -6.763 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: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1063.256150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.256150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.256150 (E_RNA) where: Base-Base interactions energy: -729.250 where: short stacking energy: -311.540 Base-Backbone interact. energy: -2.050 local terms energy: -331.955810 where: bonds (distance) C4'-P energy: -52.565 bonds (distance) P-C4' energy: -69.615 flat angles C4'-P-C4' energy: -76.594 flat angles P-C4'-P energy: -46.825 tors. eta vs tors. theta energy: -86.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1047.985942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.985942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.985942 (E_RNA) where: Base-Base interactions energy: -703.629 where: short stacking energy: -313.356 Base-Backbone interact. energy: 0.339 local terms energy: -344.695692 where: bonds (distance) C4'-P energy: -65.952 bonds (distance) P-C4' energy: -70.302 flat angles C4'-P-C4' energy: -74.248 flat angles P-C4'-P energy: -39.231 tors. eta vs tors. theta energy: -94.962 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: 3, replica: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1018.252842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.252842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.252842 (E_RNA) where: Base-Base interactions energy: -695.503 where: short stacking energy: -330.222 Base-Backbone interact. energy: 2.038 local terms energy: -324.788016 where: bonds (distance) C4'-P energy: -57.424 bonds (distance) P-C4' energy: -59.318 flat angles C4'-P-C4' energy: -70.608 flat angles P-C4'-P energy: -41.631 tors. eta vs tors. theta energy: -95.807 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: 480 Temperature: 1.050000 Total energy: -946.203318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.203318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.203318 (E_RNA) where: Base-Base interactions energy: -646.436 where: short stacking energy: -284.546 Base-Backbone interact. energy: -0.796 local terms energy: -298.970927 where: bonds (distance) C4'-P energy: -51.787 bonds (distance) P-C4' energy: -59.328 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -85.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -829.103558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.103558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.103558 (E_RNA) where: Base-Base interactions energy: -552.562 where: short stacking energy: -236.624 Base-Backbone interact. energy: -0.172 local terms energy: -276.369544 where: bonds (distance) C4'-P energy: -52.542 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -68.095 flat angles P-C4'-P energy: -42.435 tors. eta vs tors. theta energy: -59.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -775.533357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.533357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.533357 (E_RNA) where: Base-Base interactions energy: -504.753 where: short stacking energy: -217.420 Base-Backbone interact. energy: -0.208 local terms energy: -270.571528 where: bonds (distance) C4'-P energy: -58.050 bonds (distance) P-C4' energy: -55.868 flat angles C4'-P-C4' energy: -61.281 flat angles P-C4'-P energy: -41.732 tors. eta vs tors. theta energy: -53.640 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: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -746.370344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.370344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.370344 (E_RNA) where: Base-Base interactions energy: -491.464 where: short stacking energy: -229.422 Base-Backbone interact. energy: -2.032 local terms energy: -252.873906 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -51.944 flat angles C4'-P-C4' energy: -60.909 flat angles P-C4'-P energy: -37.722 tors. eta vs tors. theta energy: -44.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -484.797703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.797703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.797703 (E_RNA) where: Base-Base interactions energy: -284.667 where: short stacking energy: -141.053 Base-Backbone interact. energy: -1.921 local terms energy: -198.209700 where: bonds (distance) C4'-P energy: -53.316 bonds (distance) P-C4' energy: -56.787 flat angles C4'-P-C4' energy: -43.727 flat angles P-C4'-P energy: -27.374 tors. eta vs tors. theta energy: -17.005 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: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -337.104995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.104995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.104995 (E_RNA) where: Base-Base interactions energy: -148.993 where: short stacking energy: -96.678 Base-Backbone interact. energy: -1.241 local terms energy: -186.871192 where: bonds (distance) C4'-P energy: -48.101 bonds (distance) P-C4' energy: -73.178 flat angles C4'-P-C4' energy: -40.360 flat angles P-C4'-P energy: -22.650 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -267.580846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.580846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.580846 (E_RNA) where: Base-Base interactions energy: -73.650 where: short stacking energy: -60.270 Base-Backbone interact. energy: -2.136 local terms energy: -191.795396 where: bonds (distance) C4'-P energy: -62.050 bonds (distance) P-C4' energy: -60.316 flat angles C4'-P-C4' energy: -46.545 flat angles P-C4'-P energy: -32.947 tors. eta vs tors. theta energy: 10.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1085.006161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.006161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.006161 (E_RNA) where: Base-Base interactions energy: -738.148 where: short stacking energy: -327.924 Base-Backbone interact. energy: -1.838 local terms energy: -345.019702 where: bonds (distance) C4'-P energy: -64.642 bonds (distance) P-C4' energy: -63.939 flat angles C4'-P-C4' energy: -72.503 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: -96.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1047.704168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.704168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.704168 (E_RNA) where: Base-Base interactions energy: -709.481 where: short stacking energy: -297.862 Base-Backbone interact. energy: -0.941 local terms energy: -337.282424 where: bonds (distance) C4'-P energy: -69.887 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -67.408 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -88.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -997.385595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.385595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.385595 (E_RNA) where: Base-Base interactions energy: -678.089 where: short stacking energy: -298.240 Base-Backbone interact. energy: -1.260 local terms energy: -318.036161 where: bonds (distance) C4'-P energy: -51.997 bonds (distance) P-C4' energy: -68.343 flat angles C4'-P-C4' energy: -59.354 flat angles P-C4'-P energy: -55.267 tors. eta vs tors. theta energy: -83.074 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: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -955.542709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.542709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.542709 (E_RNA) where: Base-Base interactions energy: -632.031 where: short stacking energy: -294.030 Base-Backbone interact. energy: -3.555 local terms energy: -319.956632 where: bonds (distance) C4'-P energy: -67.848 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -43.519 tors. eta vs tors. theta energy: -83.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -858.385760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.385760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.385760 (E_RNA) where: Base-Base interactions energy: -553.078 where: short stacking energy: -256.662 Base-Backbone interact. energy: -2.594 local terms energy: -302.713359 where: bonds (distance) C4'-P energy: -66.454 bonds (distance) P-C4' energy: -59.845 flat angles C4'-P-C4' energy: -68.052 flat angles P-C4'-P energy: -33.823 tors. eta vs tors. theta energy: -74.538 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: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -788.151003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.151003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.151003 (E_RNA) where: Base-Base interactions energy: -502.716 where: short stacking energy: -219.435 Base-Backbone interact. energy: -0.167 local terms energy: -285.268259 where: bonds (distance) C4'-P energy: -64.694 bonds (distance) P-C4' energy: -65.202 flat angles C4'-P-C4' energy: -60.544 flat angles P-C4'-P energy: -35.435 tors. eta vs tors. theta energy: -59.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -758.416394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.416394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.416394 (E_RNA) where: Base-Base interactions energy: -511.872 where: short stacking energy: -234.323 Base-Backbone interact. energy: 3.940 local terms energy: -250.484523 where: bonds (distance) C4'-P energy: -48.896 bonds (distance) P-C4' energy: -54.394 flat angles C4'-P-C4' energy: -60.088 flat angles P-C4'-P energy: -27.486 tors. eta vs tors. theta energy: -59.621 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: 8, replica: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -509.690301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.690301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.690301 (E_RNA) where: Base-Base interactions energy: -282.258 where: short stacking energy: -137.479 Base-Backbone interact. energy: -0.042 local terms energy: -227.390800 where: bonds (distance) C4'-P energy: -48.160 bonds (distance) P-C4' energy: -62.756 flat angles C4'-P-C4' energy: -54.095 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -24.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -400.877382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.877382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.877382 (E_RNA) where: Base-Base interactions energy: -178.720 where: short stacking energy: -123.301 Base-Backbone interact. energy: 0.336 local terms energy: -222.493584 where: bonds (distance) C4'-P energy: -58.145 bonds (distance) P-C4' energy: -64.609 flat angles C4'-P-C4' energy: -57.637 flat angles P-C4'-P energy: -22.415 tors. eta vs tors. theta energy: -19.687 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: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -280.144011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.144011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.144011 (E_RNA) where: Base-Base interactions energy: -116.391 where: short stacking energy: -74.848 Base-Backbone interact. energy: 0.058 local terms energy: -163.810767 where: bonds (distance) C4'-P energy: -54.731 bonds (distance) P-C4' energy: -53.860 flat angles C4'-P-C4' energy: -46.669 flat angles P-C4'-P energy: -26.177 tors. eta vs tors. theta energy: 17.625 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: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1088.420840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.420840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.420840 (E_RNA) where: Base-Base interactions energy: -745.091 where: short stacking energy: -334.624 Base-Backbone interact. energy: -3.435 local terms energy: -339.894490 where: bonds (distance) C4'-P energy: -69.093 bonds (distance) P-C4' energy: -61.160 flat angles C4'-P-C4' energy: -70.243 flat angles P-C4'-P energy: -42.047 tors. eta vs tors. theta energy: -97.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1062.794513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.794513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.794513 (E_RNA) where: Base-Base interactions energy: -712.202 where: short stacking energy: -321.271 Base-Backbone interact. energy: 1.415 local terms energy: -352.007464 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -65.211 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -50.300 tors. eta vs tors. theta energy: -92.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1025.722381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.722381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.722381 (E_RNA) where: Base-Base interactions energy: -707.068 where: short stacking energy: -323.218 Base-Backbone interact. energy: 1.253 local terms energy: -319.906511 where: bonds (distance) C4'-P energy: -48.971 bonds (distance) P-C4' energy: -53.739 flat angles C4'-P-C4' energy: -68.745 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: -97.333 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: 482 Temperature: 1.050000 Total energy: -915.473800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.473800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.473800 (E_RNA) where: Base-Base interactions energy: -609.467 where: short stacking energy: -240.091 Base-Backbone interact. energy: -1.565 local terms energy: -304.441871 where: bonds (distance) C4'-P energy: -61.142 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -67.812 flat angles P-C4'-P energy: -45.357 tors. eta vs tors. theta energy: -70.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -837.130209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.130209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.130209 (E_RNA) where: Base-Base interactions energy: -541.348 where: short stacking energy: -233.891 Base-Backbone interact. energy: -2.767 local terms energy: -293.015361 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -57.059 flat angles C4'-P-C4' energy: -66.110 flat angles P-C4'-P energy: -41.359 tors. eta vs tors. theta energy: -70.866 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: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -798.332551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.332551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.332551 (E_RNA) where: Base-Base interactions energy: -522.030 where: short stacking energy: -239.429 Base-Backbone interact. energy: -2.038 local terms energy: -274.264567 where: bonds (distance) C4'-P energy: -48.067 bonds (distance) P-C4' energy: -65.383 flat angles C4'-P-C4' energy: -60.888 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: -64.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -770.973482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.973482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.973482 (E_RNA) where: Base-Base interactions energy: -498.448 where: short stacking energy: -215.707 Base-Backbone interact. energy: -1.058 local terms energy: -271.467593 where: bonds (distance) C4'-P energy: -45.620 bonds (distance) P-C4' energy: -59.544 flat angles C4'-P-C4' energy: -56.614 flat angles P-C4'-P energy: -40.294 tors. eta vs tors. theta energy: -69.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -522.926331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.926331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.926331 (E_RNA) where: Base-Base interactions energy: -301.124 where: short stacking energy: -141.354 Base-Backbone interact. energy: 1.469 local terms energy: -223.272214 where: bonds (distance) C4'-P energy: -50.270 bonds (distance) P-C4' energy: -50.138 flat angles C4'-P-C4' energy: -60.805 flat angles P-C4'-P energy: -28.929 tors. eta vs tors. theta energy: -33.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -379.737876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.737876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.737876 (E_RNA) where: Base-Base interactions energy: -195.523 where: short stacking energy: -115.620 Base-Backbone interact. energy: 0.834 local terms energy: -185.048552 where: bonds (distance) C4'-P energy: -51.334 bonds (distance) P-C4' energy: -55.433 flat angles C4'-P-C4' energy: -52.279 flat angles P-C4'-P energy: -34.365 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: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -258.647992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.647992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.647992 (E_RNA) where: Base-Base interactions energy: -83.535 where: short stacking energy: -75.725 Base-Backbone interact. energy: -1.529 local terms energy: -173.584142 where: bonds (distance) C4'-P energy: -68.408 bonds (distance) P-C4' energy: -59.651 flat angles C4'-P-C4' energy: -42.236 flat angles P-C4'-P energy: -19.318 tors. eta vs tors. theta energy: 16.029 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: 1, replica: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1088.028932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.028932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.028932 (E_RNA) where: Base-Base interactions energy: -730.917 where: short stacking energy: -329.682 Base-Backbone interact. energy: -2.066 local terms energy: -355.045961 where: bonds (distance) C4'-P energy: -60.743 bonds (distance) P-C4' energy: -67.714 flat angles C4'-P-C4' energy: -72.857 flat angles P-C4'-P energy: -55.441 tors. eta vs tors. theta energy: -98.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1048.732944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.732944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.732944 (E_RNA) where: Base-Base interactions energy: -718.819 where: short stacking energy: -319.359 Base-Backbone interact. energy: -0.517 local terms energy: -329.396297 where: bonds (distance) C4'-P energy: -56.465 bonds (distance) P-C4' energy: -59.046 flat angles C4'-P-C4' energy: -72.766 flat angles P-C4'-P energy: -49.414 tors. eta vs tors. theta energy: -91.705 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: 483 Temperature: 1.000000 Total energy: -994.172832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.172832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.172832 (E_RNA) where: Base-Base interactions energy: -659.417 where: short stacking energy: -297.467 Base-Backbone interact. energy: -1.777 local terms energy: -332.979615 where: bonds (distance) C4'-P energy: -62.360 bonds (distance) P-C4' energy: -55.883 flat angles C4'-P-C4' energy: -72.012 flat angles P-C4'-P energy: -53.179 tors. eta vs tors. theta energy: -89.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -925.065898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.065898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.065898 (E_RNA) where: Base-Base interactions energy: -624.638 where: short stacking energy: -256.084 Base-Backbone interact. energy: -1.361 local terms energy: -299.066814 where: bonds (distance) C4'-P energy: -59.348 bonds (distance) P-C4' energy: -60.788 flat angles C4'-P-C4' energy: -64.518 flat angles P-C4'-P energy: -43.023 tors. eta vs tors. theta energy: -71.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -850.413386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.413386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.413386 (E_RNA) where: Base-Base interactions energy: -554.610 where: short stacking energy: -239.448 Base-Backbone interact. energy: 0.930 local terms energy: -296.733163 where: bonds (distance) C4'-P energy: -59.470 bonds (distance) P-C4' energy: -69.150 flat angles C4'-P-C4' energy: -68.506 flat angles P-C4'-P energy: -35.373 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: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -782.052174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.052174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.052174 (E_RNA) where: Base-Base interactions energy: -523.594 where: short stacking energy: -234.554 Base-Backbone interact. energy: 1.302 local terms energy: -259.759626 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -62.122 flat angles P-C4'-P energy: -26.156 tors. eta vs tors. theta energy: -57.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -727.634353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.634353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.634353 (E_RNA) where: Base-Base interactions energy: -456.427 where: short stacking energy: -218.525 Base-Backbone interact. energy: 0.115 local terms energy: -271.322500 where: bonds (distance) C4'-P energy: -53.482 bonds (distance) P-C4' energy: -61.252 flat angles C4'-P-C4' energy: -65.440 flat angles P-C4'-P energy: -32.529 tors. eta vs tors. theta energy: -58.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -485.324049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.324049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.324049 (E_RNA) where: Base-Base interactions energy: -264.736 where: short stacking energy: -134.620 Base-Backbone interact. energy: -0.967 local terms energy: -219.621601 where: bonds (distance) C4'-P energy: -51.396 bonds (distance) P-C4' energy: -60.001 flat angles C4'-P-C4' energy: -55.250 flat angles P-C4'-P energy: -30.056 tors. eta vs tors. theta energy: -22.920 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: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -295.735836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.735836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.735836 (E_RNA) where: Base-Base interactions energy: -122.883 where: short stacking energy: -65.960 Base-Backbone interact. energy: -2.259 local terms energy: -170.594072 where: bonds (distance) C4'-P energy: -54.304 bonds (distance) P-C4' energy: -58.901 flat angles C4'-P-C4' energy: -51.247 flat angles P-C4'-P energy: -20.426 tors. eta vs tors. theta energy: 14.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -277.656890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.656890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.656890 (E_RNA) where: Base-Base interactions energy: -114.363 where: short stacking energy: -87.654 Base-Backbone interact. energy: 2.072 local terms energy: -165.366465 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -51.772 flat angles C4'-P-C4' energy: -35.372 flat angles P-C4'-P energy: -29.041 tors. eta vs tors. theta energy: 5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1101.120510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.120510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.120510 (E_RNA) where: Base-Base interactions energy: -746.760 where: short stacking energy: -334.327 Base-Backbone interact. energy: -1.258 local terms energy: -353.102083 where: bonds (distance) C4'-P energy: -69.648 bonds (distance) P-C4' energy: -65.481 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -46.632 tors. eta vs tors. theta energy: -97.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1058.496400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.496400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.496400 (E_RNA) where: Base-Base interactions energy: -729.485 where: short stacking energy: -314.874 Base-Backbone interact. energy: 1.556 local terms energy: -330.567540 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -60.884 flat angles C4'-P-C4' energy: -69.896 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -85.482 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: 3 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -984.676762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.676762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.676762 (E_RNA) where: Base-Base interactions energy: -671.437 where: short stacking energy: -305.882 Base-Backbone interact. energy: -0.330 local terms energy: -312.909309 where: bonds (distance) C4'-P energy: -60.073 bonds (distance) P-C4' energy: -56.240 flat angles C4'-P-C4' energy: -62.736 flat angles P-C4'-P energy: -41.692 tors. eta vs tors. theta energy: -92.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -916.670020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.670020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.670020 (E_RNA) where: Base-Base interactions energy: -611.972 where: short stacking energy: -253.754 Base-Backbone interact. energy: -0.893 local terms energy: -303.805385 where: bonds (distance) C4'-P energy: -69.669 bonds (distance) P-C4' energy: -59.182 flat angles C4'-P-C4' energy: -56.562 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -73.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -858.641859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.641859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.641859 (E_RNA) where: Base-Base interactions energy: -573.951 where: short stacking energy: -265.387 Base-Backbone interact. energy: -0.924 local terms energy: -283.767340 where: bonds (distance) C4'-P energy: -54.915 bonds (distance) P-C4' energy: -63.131 flat angles C4'-P-C4' energy: -65.208 flat angles P-C4'-P energy: -32.921 tors. eta vs tors. theta energy: -67.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -793.173275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.173275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.173275 (E_RNA) where: Base-Base interactions energy: -513.562 where: short stacking energy: -238.681 Base-Backbone interact. energy: -1.155 local terms energy: -278.456507 where: bonds (distance) C4'-P energy: -54.022 bonds (distance) P-C4' energy: -59.466 flat angles C4'-P-C4' energy: -57.404 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -61.308 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: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -713.091593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.091593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.091593 (E_RNA) where: Base-Base interactions energy: -460.136 where: short stacking energy: -204.248 Base-Backbone interact. energy: -1.103 local terms energy: -251.852374 where: bonds (distance) C4'-P energy: -60.901 bonds (distance) P-C4' energy: -40.665 flat angles C4'-P-C4' energy: -57.639 flat angles P-C4'-P energy: -33.607 tors. eta vs tors. theta energy: -59.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -515.142519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.142519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.142519 (E_RNA) where: Base-Base interactions energy: -288.081 where: short stacking energy: -138.836 Base-Backbone interact. energy: 2.890 local terms energy: -229.951442 where: bonds (distance) C4'-P energy: -47.876 bonds (distance) P-C4' energy: -65.485 flat angles C4'-P-C4' energy: -60.587 flat angles P-C4'-P energy: -29.105 tors. eta vs tors. theta energy: -26.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -292.360344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.360344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.360344 (E_RNA) where: Base-Base interactions energy: -107.319 where: short stacking energy: -83.982 Base-Backbone interact. energy: 0.134 local terms energy: -185.175103 where: bonds (distance) C4'-P energy: -52.246 bonds (distance) P-C4' energy: -61.989 flat angles C4'-P-C4' energy: -35.725 flat angles P-C4'-P energy: -35.283 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -310.643223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.643223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.643223 (E_RNA) where: Base-Base interactions energy: -123.971 where: short stacking energy: -97.137 Base-Backbone interact. energy: -2.541 local terms energy: -184.130672 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -55.267 flat angles C4'-P-C4' energy: -39.809 flat angles P-C4'-P energy: -33.869 tors. eta vs tors. theta energy: 3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1080.740411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.740411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.740411 (E_RNA) where: Base-Base interactions energy: -735.379 where: short stacking energy: -318.966 Base-Backbone interact. energy: -0.201 local terms energy: -345.159958 where: bonds (distance) C4'-P energy: -66.475 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -62.899 flat angles P-C4'-P energy: -50.110 tors. eta vs tors. theta energy: -99.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1047.927745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.927745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.927745 (E_RNA) where: Base-Base interactions energy: -718.644 where: short stacking energy: -306.368 Base-Backbone interact. energy: -0.461 local terms energy: -328.823000 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -58.403 flat angles C4'-P-C4' energy: -68.400 flat angles P-C4'-P energy: -47.660 tors. eta vs tors. theta energy: -89.200 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: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -958.904671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.904671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.904671 (E_RNA) where: Base-Base interactions energy: -671.295 where: short stacking energy: -306.205 Base-Backbone interact. energy: -0.763 local terms energy: -286.846605 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -53.453 flat angles C4'-P-C4' energy: -67.047 flat angles P-C4'-P energy: -23.888 tors. eta vs tors. theta energy: -86.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -927.273624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.273624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.273624 (E_RNA) where: Base-Base interactions energy: -620.476 where: short stacking energy: -273.094 Base-Backbone interact. energy: -1.370 local terms energy: -305.427440 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -63.408 flat angles C4'-P-C4' energy: -62.642 flat angles P-C4'-P energy: -40.364 tors. eta vs tors. theta energy: -79.324 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: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -849.254247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.254247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.254247 (E_RNA) where: Base-Base interactions energy: -569.827 where: short stacking energy: -242.987 Base-Backbone interact. energy: -2.001 local terms energy: -277.425730 where: bonds (distance) C4'-P energy: -59.151 bonds (distance) P-C4' energy: -49.862 flat angles C4'-P-C4' energy: -62.052 flat angles P-C4'-P energy: -41.709 tors. eta vs tors. theta energy: -64.653 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: 4 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -795.799032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.799032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.799032 (E_RNA) where: Base-Base interactions energy: -515.604 where: short stacking energy: -243.104 Base-Backbone interact. energy: -0.438 local terms energy: -279.757216 where: bonds (distance) C4'-P energy: -57.244 bonds (distance) P-C4' energy: -56.492 flat angles C4'-P-C4' energy: -59.337 flat angles P-C4'-P energy: -37.859 tors. eta vs tors. theta energy: -68.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -714.600467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.600467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.600467 (E_RNA) where: Base-Base interactions energy: -466.030 where: short stacking energy: -198.881 Base-Backbone interact. energy: 0.554 local terms energy: -249.124603 where: bonds (distance) C4'-P energy: -49.808 bonds (distance) P-C4' energy: -61.133 flat angles C4'-P-C4' energy: -61.400 flat angles P-C4'-P energy: -29.355 tors. eta vs tors. theta energy: -47.429 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: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -566.520718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.520718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.520718 (E_RNA) where: Base-Base interactions energy: -333.871 where: short stacking energy: -158.378 Base-Backbone interact. energy: 1.339 local terms energy: -233.989313 where: bonds (distance) C4'-P energy: -65.859 bonds (distance) P-C4' energy: -56.390 flat angles C4'-P-C4' energy: -56.607 flat angles P-C4'-P energy: -27.791 tors. eta vs tors. theta energy: -27.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -303.573144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.573144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.573144 (E_RNA) where: Base-Base interactions energy: -121.568 where: short stacking energy: -82.212 Base-Backbone interact. energy: 2.566 local terms energy: -184.570679 where: bonds (distance) C4'-P energy: -54.667 bonds (distance) P-C4' energy: -52.915 flat angles C4'-P-C4' energy: -54.491 flat angles P-C4'-P energy: -32.132 tors. eta vs tors. theta energy: 9.633 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: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -270.480187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.480187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.480187 (E_RNA) where: Base-Base interactions energy: -90.599 where: short stacking energy: -88.068 Base-Backbone interact. energy: -1.969 local terms energy: -177.911967 where: bonds (distance) C4'-P energy: -50.572 bonds (distance) P-C4' energy: -54.092 flat angles C4'-P-C4' energy: -56.698 flat angles P-C4'-P energy: -20.747 tors. eta vs tors. theta energy: 4.197 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: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1075.555099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.555099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.555099 (E_RNA) where: Base-Base interactions energy: -737.118 where: short stacking energy: -336.770 Base-Backbone interact. energy: -1.657 local terms energy: -336.780508 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -74.072 flat angles P-C4'-P energy: -41.252 tors. eta vs tors. theta energy: -98.367 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: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1056.040903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.040903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.040903 (E_RNA) where: Base-Base interactions energy: -731.701 where: short stacking energy: -297.508 Base-Backbone interact. energy: -2.095 local terms energy: -322.244753 where: bonds (distance) C4'-P energy: -51.350 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -63.134 flat angles P-C4'-P energy: -52.041 tors. eta vs tors. theta energy: -85.429 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: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -972.062760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.062760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.062760 (E_RNA) where: Base-Base interactions energy: -652.309 where: short stacking energy: -279.150 Base-Backbone interact. energy: -0.193 local terms energy: -319.561168 where: bonds (distance) C4'-P energy: -57.025 bonds (distance) P-C4' energy: -63.636 flat angles C4'-P-C4' energy: -68.252 flat angles P-C4'-P energy: -45.534 tors. eta vs tors. theta energy: -85.114 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: 486 Temperature: 1.050000 Total energy: -927.808180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.808180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.808180 (E_RNA) where: Base-Base interactions energy: -619.251 where: short stacking energy: -260.735 Base-Backbone interact. energy: -1.272 local terms energy: -307.284610 where: bonds (distance) C4'-P energy: -63.561 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -66.898 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -70.469 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: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -854.531051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.531051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.531051 (E_RNA) where: Base-Base interactions energy: -564.298 where: short stacking energy: -252.360 Base-Backbone interact. energy: -1.205 local terms energy: -289.027553 where: bonds (distance) C4'-P energy: -59.746 bonds (distance) P-C4' energy: -56.606 flat angles C4'-P-C4' energy: -61.460 flat angles P-C4'-P energy: -42.909 tors. eta vs tors. theta energy: -68.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -772.743767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.743767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.743767 (E_RNA) where: Base-Base interactions energy: -499.341 where: short stacking energy: -233.617 Base-Backbone interact. energy: -1.356 local terms energy: -272.046589 where: bonds (distance) C4'-P energy: -46.253 bonds (distance) P-C4' energy: -59.986 flat angles C4'-P-C4' energy: -61.833 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: -59.418 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: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -688.656668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.656668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.656668 (E_RNA) where: Base-Base interactions energy: -443.360 where: short stacking energy: -203.573 Base-Backbone interact. energy: -2.096 local terms energy: -243.201055 where: bonds (distance) C4'-P energy: -49.009 bonds (distance) P-C4' energy: -48.686 flat angles C4'-P-C4' energy: -60.869 flat angles P-C4'-P energy: -36.824 tors. eta vs tors. theta energy: -47.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -596.803742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.803742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.803742 (E_RNA) where: Base-Base interactions energy: -376.583 where: short stacking energy: -171.023 Base-Backbone interact. energy: -1.546 local terms energy: -218.674706 where: bonds (distance) C4'-P energy: -46.160 bonds (distance) P-C4' energy: -53.154 flat angles C4'-P-C4' energy: -60.475 flat angles P-C4'-P energy: -33.130 tors. eta vs tors. theta energy: -25.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -336.901613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.901613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.901613 (E_RNA) where: Base-Base interactions energy: -161.340 where: short stacking energy: -106.582 Base-Backbone interact. energy: 0.787 local terms energy: -176.349317 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -49.132 flat angles C4'-P-C4' energy: -43.009 flat angles P-C4'-P energy: -21.209 tors. eta vs tors. theta energy: -3.920 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: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -267.254775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.254775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.254775 (E_RNA) where: Base-Base interactions energy: -110.079 where: short stacking energy: -83.861 Base-Backbone interact. energy: -2.158 local terms energy: -155.018403 where: bonds (distance) C4'-P energy: -45.678 bonds (distance) P-C4' energy: -41.630 flat angles C4'-P-C4' energy: -56.037 flat angles P-C4'-P energy: -15.714 tors. eta vs tors. theta energy: 4.040 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: 9 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1084.489933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.489933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.489933 (E_RNA) where: Base-Base interactions energy: -745.126 where: short stacking energy: -327.463 Base-Backbone interact. energy: -2.720 local terms energy: -336.644180 where: bonds (distance) C4'-P energy: -52.891 bonds (distance) P-C4' energy: -67.932 flat angles C4'-P-C4' energy: -73.346 flat angles P-C4'-P energy: -43.025 tors. eta vs tors. theta energy: -99.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1076.733071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.733071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.733071 (E_RNA) where: Base-Base interactions energy: -733.127 where: short stacking energy: -313.489 Base-Backbone interact. energy: -0.155 local terms energy: -343.450596 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -72.150 flat angles P-C4'-P energy: -51.752 tors. eta vs tors. theta energy: -91.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -969.506771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.506771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.506771 (E_RNA) where: Base-Base interactions energy: -650.271 where: short stacking energy: -274.408 Base-Backbone interact. energy: 2.234 local terms energy: -321.469360 where: bonds (distance) C4'-P energy: -61.036 bonds (distance) P-C4' energy: -64.091 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -85.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -928.036637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.036637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.036637 (E_RNA) where: Base-Base interactions energy: -638.754 where: short stacking energy: -275.288 Base-Backbone interact. energy: 1.142 local terms energy: -290.424226 where: bonds (distance) C4'-P energy: -48.322 bonds (distance) P-C4' energy: -64.997 flat angles C4'-P-C4' energy: -58.873 flat angles P-C4'-P energy: -37.843 tors. eta vs tors. theta energy: -80.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -831.090838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.090838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.090838 (E_RNA) where: Base-Base interactions energy: -553.171 where: short stacking energy: -243.739 Base-Backbone interact. energy: -1.766 local terms energy: -276.153068 where: bonds (distance) C4'-P energy: -57.661 bonds (distance) P-C4' energy: -59.825 flat angles C4'-P-C4' energy: -56.948 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -64.697 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: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -793.748223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.748223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.748223 (E_RNA) where: Base-Base interactions energy: -520.331 where: short stacking energy: -247.702 Base-Backbone interact. energy: -0.528 local terms energy: -272.888896 where: bonds (distance) C4'-P energy: -55.874 bonds (distance) P-C4' energy: -65.516 flat angles C4'-P-C4' energy: -57.452 flat angles P-C4'-P energy: -44.334 tors. eta vs tors. theta energy: -49.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -697.079435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.079435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.079435 (E_RNA) where: Base-Base interactions energy: -458.585 where: short stacking energy: -196.616 Base-Backbone interact. energy: 1.446 local terms energy: -239.940521 where: bonds (distance) C4'-P energy: -47.247 bonds (distance) P-C4' energy: -54.597 flat angles C4'-P-C4' energy: -52.535 flat angles P-C4'-P energy: -33.459 tors. eta vs tors. theta energy: -52.103 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: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -526.563445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.563445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.563445 (E_RNA) where: Base-Base interactions energy: -300.295 where: short stacking energy: -139.325 Base-Backbone interact. energy: -2.530 local terms energy: -223.737516 where: bonds (distance) C4'-P energy: -58.764 bonds (distance) P-C4' energy: -51.263 flat angles C4'-P-C4' energy: -54.184 flat angles P-C4'-P energy: -37.880 tors. eta vs tors. theta energy: -21.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -327.189703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.189703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.189703 (E_RNA) where: Base-Base interactions energy: -154.552 where: short stacking energy: -102.165 Base-Backbone interact. energy: 3.727 local terms energy: -176.364047 where: bonds (distance) C4'-P energy: -55.659 bonds (distance) P-C4' energy: -42.866 flat angles C4'-P-C4' energy: -40.069 flat angles P-C4'-P energy: -33.542 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -266.935606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.935606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.935606 (E_RNA) where: Base-Base interactions energy: -112.937 where: short stacking energy: -84.462 Base-Backbone interact. energy: 2.762 local terms energy: -156.760802 where: bonds (distance) C4'-P energy: -59.195 bonds (distance) P-C4' energy: -37.970 flat angles C4'-P-C4' energy: -42.733 flat angles P-C4'-P energy: -23.660 tors. eta vs tors. theta energy: 6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1072.557706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.557706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.557706 (E_RNA) where: Base-Base interactions energy: -735.484 where: short stacking energy: -318.713 Base-Backbone interact. energy: -1.049 local terms energy: -336.024157 where: bonds (distance) C4'-P energy: -66.974 bonds (distance) P-C4' energy: -61.610 flat angles C4'-P-C4' energy: -69.259 flat angles P-C4'-P energy: -45.681 tors. eta vs tors. theta energy: -92.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1073.061026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.061026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.061026 (E_RNA) where: Base-Base interactions energy: -755.974 where: short stacking energy: -322.461 Base-Backbone interact. energy: -0.937 local terms energy: -316.149809 where: bonds (distance) C4'-P energy: -54.811 bonds (distance) P-C4' energy: -62.087 flat angles C4'-P-C4' energy: -61.759 flat angles P-C4'-P energy: -43.799 tors. eta vs tors. theta energy: -93.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -963.027749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.027749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.027749 (E_RNA) where: Base-Base interactions energy: -635.958 where: short stacking energy: -280.011 Base-Backbone interact. energy: -2.055 local terms energy: -325.013908 where: bonds (distance) C4'-P energy: -49.569 bonds (distance) P-C4' energy: -65.485 flat angles C4'-P-C4' energy: -74.574 flat angles P-C4'-P energy: -53.247 tors. eta vs tors. theta energy: -82.138 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: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -905.836567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.836567 (E_RNA) where: Base-Base interactions energy: -601.747 where: short stacking energy: -256.620 Base-Backbone interact. energy: 0.174 local terms energy: -304.264268 where: bonds (distance) C4'-P energy: -62.856 bonds (distance) P-C4' energy: -61.350 flat angles C4'-P-C4' energy: -64.094 flat angles P-C4'-P energy: -39.498 tors. eta vs tors. theta energy: -76.466 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: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -883.534252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.534252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.534252 (E_RNA) where: Base-Base interactions energy: -589.980 where: short stacking energy: -258.521 Base-Backbone interact. energy: -1.492 local terms energy: -292.062658 where: bonds (distance) C4'-P energy: -52.671 bonds (distance) P-C4' energy: -64.856 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -32.810 tors. eta vs tors. theta energy: -77.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -793.791477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.791477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.791477 (E_RNA) where: Base-Base interactions energy: -514.356 where: short stacking energy: -250.333 Base-Backbone interact. energy: -1.534 local terms energy: -277.902107 where: bonds (distance) C4'-P energy: -53.689 bonds (distance) P-C4' energy: -60.848 flat angles C4'-P-C4' energy: -60.788 flat angles P-C4'-P energy: -39.667 tors. eta vs tors. theta energy: -62.910 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: 1 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -665.699799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.699799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.699799 (E_RNA) where: Base-Base interactions energy: -420.652 where: short stacking energy: -186.306 Base-Backbone interact. energy: -0.110 local terms energy: -244.937874 where: bonds (distance) C4'-P energy: -55.190 bonds (distance) P-C4' energy: -60.584 flat angles C4'-P-C4' energy: -46.485 flat angles P-C4'-P energy: -37.883 tors. eta vs tors. theta energy: -44.796 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: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -544.262323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.262323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.262323 (E_RNA) where: Base-Base interactions energy: -321.969 where: short stacking energy: -169.278 Base-Backbone interact. energy: 0.157 local terms energy: -222.449801 where: bonds (distance) C4'-P energy: -47.375 bonds (distance) P-C4' energy: -55.383 flat angles C4'-P-C4' energy: -49.658 flat angles P-C4'-P energy: -32.850 tors. eta vs tors. theta energy: -37.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -285.167520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.167520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.167520 (E_RNA) where: Base-Base interactions energy: -114.537 where: short stacking energy: -105.259 Base-Backbone interact. energy: -0.162 local terms energy: -170.468788 where: bonds (distance) C4'-P energy: -64.287 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -29.618 flat angles P-C4'-P energy: -26.740 tors. eta vs tors. theta energy: 9.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -296.643544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.643544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.643544 (E_RNA) where: Base-Base interactions energy: -96.028 where: short stacking energy: -76.638 Base-Backbone interact. energy: -0.917 local terms energy: -199.698629 where: bonds (distance) C4'-P energy: -64.969 bonds (distance) P-C4' energy: -65.404 flat angles C4'-P-C4' energy: -42.811 flat angles P-C4'-P energy: -35.085 tors. eta vs tors. theta energy: 8.571 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: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1061.888437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.888437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.888437 (E_RNA) where: Base-Base interactions energy: -739.520 where: short stacking energy: -325.267 Base-Backbone interact. energy: 2.572 local terms energy: -324.941084 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -62.326 flat angles C4'-P-C4' energy: -62.540 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -93.636 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: 6 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1064.425302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.425302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.425302 (E_RNA) where: Base-Base interactions energy: -712.830 where: short stacking energy: -318.231 Base-Backbone interact. energy: -2.113 local terms energy: -349.482020 where: bonds (distance) C4'-P energy: -70.009 bonds (distance) P-C4' energy: -67.889 flat angles C4'-P-C4' energy: -72.208 flat angles P-C4'-P energy: -43.769 tors. eta vs tors. theta energy: -95.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -994.020972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.020972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.020972 (E_RNA) where: Base-Base interactions energy: -670.388 where: short stacking energy: -302.803 Base-Backbone interact. energy: -1.289 local terms energy: -322.343465 where: bonds (distance) C4'-P energy: -62.991 bonds (distance) P-C4' energy: -64.498 flat angles C4'-P-C4' energy: -61.578 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -87.349 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: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -929.815197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.815197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.815197 (E_RNA) where: Base-Base interactions energy: -621.078 where: short stacking energy: -261.502 Base-Backbone interact. energy: -0.133 local terms energy: -308.604608 where: bonds (distance) C4'-P energy: -72.097 bonds (distance) P-C4' energy: -59.813 flat angles C4'-P-C4' energy: -64.148 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -70.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -897.194337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.194337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.194337 (E_RNA) where: Base-Base interactions energy: -603.704 where: short stacking energy: -286.163 Base-Backbone interact. energy: -1.241 local terms energy: -292.249030 where: bonds (distance) C4'-P energy: -52.939 bonds (distance) P-C4' energy: -49.326 flat angles C4'-P-C4' energy: -57.062 flat angles P-C4'-P energy: -49.055 tors. eta vs tors. theta energy: -83.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -762.345040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.345040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.345040 (E_RNA) where: Base-Base interactions energy: -493.765 where: short stacking energy: -216.549 Base-Backbone interact. energy: -1.638 local terms energy: -266.941664 where: bonds (distance) C4'-P energy: -55.531 bonds (distance) P-C4' energy: -51.922 flat angles C4'-P-C4' energy: -56.999 flat angles P-C4'-P energy: -36.520 tors. eta vs tors. theta energy: -65.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -646.873910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.873910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.873910 (E_RNA) where: Base-Base interactions energy: -399.893 where: short stacking energy: -173.070 Base-Backbone interact. energy: -2.403 local terms energy: -244.577298 where: bonds (distance) C4'-P energy: -55.184 bonds (distance) P-C4' energy: -62.694 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -30.535 tors. eta vs tors. theta energy: -35.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -532.534824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.534824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.534824 (E_RNA) where: Base-Base interactions energy: -315.702 where: short stacking energy: -162.042 Base-Backbone interact. energy: 1.244 local terms energy: -218.076439 where: bonds (distance) C4'-P energy: -49.191 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -46.069 flat angles P-C4'-P energy: -41.625 tors. eta vs tors. theta energy: -19.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -342.190372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.190372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.190372 (E_RNA) where: Base-Base interactions energy: -154.281 where: short stacking energy: -91.870 Base-Backbone interact. energy: 4.980 local terms energy: -192.888604 where: bonds (distance) C4'-P energy: -51.656 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -48.619 flat angles P-C4'-P energy: -30.102 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -272.507228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.507228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.507228 (E_RNA) where: Base-Base interactions energy: -99.551 where: short stacking energy: -89.267 Base-Backbone interact. energy: 0.441 local terms energy: -173.397527 where: bonds (distance) C4'-P energy: -41.885 bonds (distance) P-C4' energy: -64.092 flat angles C4'-P-C4' energy: -37.516 flat angles P-C4'-P energy: -30.529 tors. eta vs tors. theta energy: 0.624 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: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1056.830605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.830605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.830605 (E_RNA) where: Base-Base interactions energy: -729.369 where: short stacking energy: -317.598 Base-Backbone interact. energy: 1.891 local terms energy: -329.352641 where: bonds (distance) C4'-P energy: -69.775 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -68.988 flat angles P-C4'-P energy: -44.200 tors. eta vs tors. theta energy: -86.744 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: 6 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1055.682980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.682980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.682980 (E_RNA) where: Base-Base interactions energy: -712.001 where: short stacking energy: -313.906 Base-Backbone interact. energy: 0.148 local terms energy: -343.829812 where: bonds (distance) C4'-P energy: -64.585 bonds (distance) P-C4' energy: -66.637 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -93.563 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: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -991.753561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.753561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.753561 (E_RNA) where: Base-Base interactions energy: -655.083 where: short stacking energy: -302.032 Base-Backbone interact. energy: -1.052 local terms energy: -335.619132 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -66.861 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -86.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -927.271120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.271120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.271120 (E_RNA) where: Base-Base interactions energy: -619.118 where: short stacking energy: -273.625 Base-Backbone interact. energy: -1.472 local terms energy: -306.680902 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -64.734 flat angles C4'-P-C4' energy: -69.080 flat angles P-C4'-P energy: -36.749 tors. eta vs tors. theta energy: -79.044 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: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -904.779032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.779032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.779032 (E_RNA) where: Base-Base interactions energy: -607.287 where: short stacking energy: -261.531 Base-Backbone interact. energy: -1.011 local terms energy: -296.481155 where: bonds (distance) C4'-P energy: -62.854 bonds (distance) P-C4' energy: -58.778 flat angles C4'-P-C4' energy: -55.295 flat angles P-C4'-P energy: -37.542 tors. eta vs tors. theta energy: -82.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -780.387962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.387962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.387962 (E_RNA) where: Base-Base interactions energy: -526.552 where: short stacking energy: -241.623 Base-Backbone interact. energy: -0.647 local terms energy: -253.188469 where: bonds (distance) C4'-P energy: -37.700 bonds (distance) P-C4' energy: -49.093 flat angles C4'-P-C4' energy: -58.565 flat angles P-C4'-P energy: -41.216 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: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -640.816716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.816716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.816716 (E_RNA) where: Base-Base interactions energy: -393.942 where: short stacking energy: -184.814 Base-Backbone interact. energy: -1.636 local terms energy: -245.239039 where: bonds (distance) C4'-P energy: -48.772 bonds (distance) P-C4' energy: -53.005 flat angles C4'-P-C4' energy: -58.448 flat angles P-C4'-P energy: -51.762 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: 8, replica: 8 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -543.813193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.813193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.813193 (E_RNA) where: Base-Base interactions energy: -288.350 where: short stacking energy: -171.067 Base-Backbone interact. energy: -0.312 local terms energy: -255.150972 where: bonds (distance) C4'-P energy: -63.543 bonds (distance) P-C4' energy: -53.224 flat angles C4'-P-C4' energy: -49.602 flat angles P-C4'-P energy: -38.432 tors. eta vs tors. theta energy: -50.350 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: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -336.359983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.359983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.359983 (E_RNA) where: Base-Base interactions energy: -148.081 where: short stacking energy: -117.512 Base-Backbone interact. energy: -0.688 local terms energy: -187.591015 where: bonds (distance) C4'-P energy: -45.787 bonds (distance) P-C4' energy: -57.600 flat angles C4'-P-C4' energy: -41.596 flat angles P-C4'-P energy: -29.463 tors. eta vs tors. theta energy: -13.146 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: 10, replica: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -256.803164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.803164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.803164 (E_RNA) where: Base-Base interactions energy: -89.824 where: short stacking energy: -76.856 Base-Backbone interact. energy: 0.843 local terms energy: -167.821836 where: bonds (distance) C4'-P energy: -48.868 bonds (distance) P-C4' energy: -57.560 flat angles C4'-P-C4' energy: -40.649 flat angles P-C4'-P energy: -26.304 tors. eta vs tors. theta energy: 5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1073.075971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.075971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.075971 (E_RNA) where: Base-Base interactions energy: -730.401 where: short stacking energy: -330.019 Base-Backbone interact. energy: -1.720 local terms energy: -340.954692 where: bonds (distance) C4'-P energy: -71.449 bonds (distance) P-C4' energy: -60.049 flat angles C4'-P-C4' energy: -74.428 flat angles P-C4'-P energy: -39.810 tors. eta vs tors. theta energy: -95.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1054.598426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.598426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.598426 (E_RNA) where: Base-Base interactions energy: -724.396 where: short stacking energy: -310.196 Base-Backbone interact. energy: -1.970 local terms energy: -328.232620 where: bonds (distance) C4'-P energy: -68.398 bonds (distance) P-C4' energy: -58.367 flat angles C4'-P-C4' energy: -69.613 flat angles P-C4'-P energy: -45.349 tors. eta vs tors. theta energy: -86.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -977.750516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.750516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.750516 (E_RNA) where: Base-Base interactions energy: -662.348 where: short stacking energy: -290.676 Base-Backbone interact. energy: -0.012 local terms energy: -315.390831 where: bonds (distance) C4'-P energy: -62.148 bonds (distance) P-C4' energy: -57.544 flat angles C4'-P-C4' energy: -59.701 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -86.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -926.417067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.417067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.417067 (E_RNA) where: Base-Base interactions energy: -630.801 where: short stacking energy: -290.197 Base-Backbone interact. energy: -0.865 local terms energy: -294.751140 where: bonds (distance) C4'-P energy: -52.636 bonds (distance) P-C4' energy: -58.041 flat angles C4'-P-C4' energy: -62.522 flat angles P-C4'-P energy: -43.805 tors. eta vs tors. theta energy: -77.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -889.930693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.930693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.930693 (E_RNA) where: Base-Base interactions energy: -613.046 where: short stacking energy: -245.216 Base-Backbone interact. energy: 4.014 local terms energy: -280.899499 where: bonds (distance) C4'-P energy: -55.982 bonds (distance) P-C4' energy: -59.743 flat angles C4'-P-C4' energy: -66.629 flat angles P-C4'-P energy: -32.451 tors. eta vs tors. theta energy: -66.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -780.976861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.976861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.976861 (E_RNA) where: Base-Base interactions energy: -516.331 where: short stacking energy: -235.028 Base-Backbone interact. energy: 0.901 local terms energy: -265.547130 where: bonds (distance) C4'-P energy: -54.735 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -60.917 flat angles P-C4'-P energy: -29.347 tors. eta vs tors. theta energy: -56.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -639.566335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.566335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.566335 (E_RNA) where: Base-Base interactions energy: -399.520 where: short stacking energy: -184.416 Base-Backbone interact. energy: 2.741 local terms energy: -242.787360 where: bonds (distance) C4'-P energy: -53.764 bonds (distance) P-C4' energy: -69.303 flat angles C4'-P-C4' energy: -51.181 flat angles P-C4'-P energy: -29.733 tors. eta vs tors. theta energy: -38.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -514.984307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.984307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.984307 (E_RNA) where: Base-Base interactions energy: -297.168 where: short stacking energy: -146.281 Base-Backbone interact. energy: -1.850 local terms energy: -215.967243 where: bonds (distance) C4'-P energy: -53.059 bonds (distance) P-C4' energy: -54.028 flat angles C4'-P-C4' energy: -51.968 flat angles P-C4'-P energy: -30.115 tors. eta vs tors. theta energy: -26.797 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: 10 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -337.693208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.693208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.693208 (E_RNA) where: Base-Base interactions energy: -135.902 where: short stacking energy: -93.387 Base-Backbone interact. energy: -0.985 local terms energy: -200.806980 where: bonds (distance) C4'-P energy: -52.659 bonds (distance) P-C4' energy: -44.567 flat angles C4'-P-C4' energy: -52.530 flat angles P-C4'-P energy: -35.746 tors. eta vs tors. theta energy: -15.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -317.166404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.166404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.166404 (E_RNA) where: Base-Base interactions energy: -154.195 where: short stacking energy: -89.984 Base-Backbone interact. energy: 2.267 local terms energy: -165.238523 where: bonds (distance) C4'-P energy: -54.472 bonds (distance) P-C4' energy: -60.407 flat angles C4'-P-C4' energy: -43.095 flat angles P-C4'-P energy: -17.777 tors. eta vs tors. theta energy: 10.513 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: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1067.634686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.634686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.634686 (E_RNA) where: Base-Base interactions energy: -724.198 where: short stacking energy: -318.157 Base-Backbone interact. energy: -2.074 local terms energy: -341.362856 where: bonds (distance) C4'-P energy: -59.022 bonds (distance) P-C4' energy: -69.867 flat angles C4'-P-C4' energy: -67.152 flat angles P-C4'-P energy: -54.925 tors. eta vs tors. theta energy: -90.397 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: 9 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1061.650668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.650668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.650668 (E_RNA) where: Base-Base interactions energy: -736.209 where: short stacking energy: -336.621 Base-Backbone interact. energy: 2.615 local terms energy: -328.057043 where: bonds (distance) C4'-P energy: -52.481 bonds (distance) P-C4' energy: -64.232 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -51.305 tors. eta vs tors. theta energy: -91.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -986.388403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.388403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.388403 (E_RNA) where: Base-Base interactions energy: -660.347 where: short stacking energy: -298.782 Base-Backbone interact. energy: -1.365 local terms energy: -324.676843 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -72.167 flat angles P-C4'-P energy: -44.638 tors. eta vs tors. theta energy: -88.248 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: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -930.560382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.560382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.560382 (E_RNA) where: Base-Base interactions energy: -649.163 where: short stacking energy: -284.896 Base-Backbone interact. energy: -1.649 local terms energy: -279.748436 where: bonds (distance) C4'-P energy: -43.840 bonds (distance) P-C4' energy: -58.738 flat angles C4'-P-C4' energy: -59.744 flat angles P-C4'-P energy: -39.436 tors. eta vs tors. theta energy: -77.990 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: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -815.582124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.582124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.582124 (E_RNA) where: Base-Base interactions energy: -524.272 where: short stacking energy: -248.263 Base-Backbone interact. energy: -0.180 local terms energy: -291.129658 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -68.415 flat angles P-C4'-P energy: -35.563 tors. eta vs tors. theta energy: -70.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -839.982658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.982658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.982658 (E_RNA) where: Base-Base interactions energy: -574.023 where: short stacking energy: -231.869 Base-Backbone interact. energy: -1.097 local terms energy: -264.862327 where: bonds (distance) C4'-P energy: -60.132 bonds (distance) P-C4' energy: -50.377 flat angles C4'-P-C4' energy: -61.235 flat angles P-C4'-P energy: -34.562 tors. eta vs tors. theta energy: -58.556 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: 492 Temperature: 1.200000 Total energy: -667.931498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.931498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.931498 (E_RNA) where: Base-Base interactions energy: -439.931 where: short stacking energy: -190.770 Base-Backbone interact. energy: -1.137 local terms energy: -226.863764 where: bonds (distance) C4'-P energy: -53.547 bonds (distance) P-C4' energy: -49.416 flat angles C4'-P-C4' energy: -53.468 flat angles P-C4'-P energy: -35.819 tors. eta vs tors. theta energy: -34.615 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: 8 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -490.855841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.855841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.855841 (E_RNA) where: Base-Base interactions energy: -282.776 where: short stacking energy: -123.086 Base-Backbone interact. energy: -0.676 local terms energy: -207.403609 where: bonds (distance) C4'-P energy: -51.471 bonds (distance) P-C4' energy: -48.115 flat angles C4'-P-C4' energy: -57.756 flat angles P-C4'-P energy: -35.339 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: 9, replica: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -286.295937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.295937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.295937 (E_RNA) where: Base-Base interactions energy: -127.811 where: short stacking energy: -83.120 Base-Backbone interact. energy: 0.361 local terms energy: -158.845884 where: bonds (distance) C4'-P energy: -41.660 bonds (distance) P-C4' energy: -58.821 flat angles C4'-P-C4' energy: -43.893 flat angles P-C4'-P energy: -29.980 tors. eta vs tors. theta energy: 15.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -352.014405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.014405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.014405 (E_RNA) where: Base-Base interactions energy: -154.874 where: short stacking energy: -92.329 Base-Backbone interact. energy: -0.052 local terms energy: -197.088152 where: bonds (distance) C4'-P energy: -52.258 bonds (distance) P-C4' energy: -56.205 flat angles C4'-P-C4' energy: -50.825 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: 1.313 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: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1078.321956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.321956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.321956 (E_RNA) where: Base-Base interactions energy: -744.842 where: short stacking energy: -321.201 Base-Backbone interact. energy: -0.261 local terms energy: -333.219089 where: bonds (distance) C4'-P energy: -64.546 bonds (distance) P-C4' energy: -60.651 flat angles C4'-P-C4' energy: -73.335 flat angles P-C4'-P energy: -51.564 tors. eta vs tors. theta energy: -83.122 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: 9 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1028.568755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.568755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.568755 (E_RNA) where: Base-Base interactions energy: -697.604 where: short stacking energy: -315.671 Base-Backbone interact. energy: -1.895 local terms energy: -329.069530 where: bonds (distance) C4'-P energy: -53.911 bonds (distance) P-C4' energy: -68.168 flat angles C4'-P-C4' energy: -66.160 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -91.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -972.001593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.001593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.001593 (E_RNA) where: Base-Base interactions energy: -656.766 where: short stacking energy: -292.513 Base-Backbone interact. energy: -0.449 local terms energy: -314.786128 where: bonds (distance) C4'-P energy: -59.314 bonds (distance) P-C4' energy: -61.932 flat angles C4'-P-C4' energy: -63.421 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: -84.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -969.263306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.263306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.263306 (E_RNA) where: Base-Base interactions energy: -656.235 where: short stacking energy: -288.212 Base-Backbone interact. energy: 3.353 local terms energy: -316.381745 where: bonds (distance) C4'-P energy: -50.577 bonds (distance) P-C4' energy: -67.790 flat angles C4'-P-C4' energy: -59.396 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -87.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -799.088860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.088860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.088860 (E_RNA) where: Base-Base interactions energy: -525.128 where: short stacking energy: -228.268 Base-Backbone interact. energy: -0.845 local terms energy: -273.115426 where: bonds (distance) C4'-P energy: -42.284 bonds (distance) P-C4' energy: -60.153 flat angles C4'-P-C4' energy: -61.144 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -65.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -827.513094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.513094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.513094 (E_RNA) where: Base-Base interactions energy: -572.626 where: short stacking energy: -219.185 Base-Backbone interact. energy: 1.618 local terms energy: -256.505077 where: bonds (distance) C4'-P energy: -41.169 bonds (distance) P-C4' energy: -54.866 flat angles C4'-P-C4' energy: -58.964 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -52.622 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: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -675.220193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.220193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.220193 (E_RNA) where: Base-Base interactions energy: -452.875 where: short stacking energy: -196.883 Base-Backbone interact. energy: -0.934 local terms energy: -221.411569 where: bonds (distance) C4'-P energy: -46.017 bonds (distance) P-C4' energy: -53.468 flat angles C4'-P-C4' energy: -49.072 flat angles P-C4'-P energy: -25.099 tors. eta vs tors. theta energy: -47.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -549.156223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.156223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.156223 (E_RNA) where: Base-Base interactions energy: -330.109 where: short stacking energy: -147.153 Base-Backbone interact. energy: 4.291 local terms energy: -223.338870 where: bonds (distance) C4'-P energy: -49.623 bonds (distance) P-C4' energy: -61.211 flat angles C4'-P-C4' energy: -63.229 flat angles P-C4'-P energy: -25.516 tors. eta vs tors. theta energy: -23.760 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: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -335.785325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.785325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.785325 (E_RNA) where: Base-Base interactions energy: -135.742 where: short stacking energy: -99.695 Base-Backbone interact. energy: 0.446 local terms energy: -200.488944 where: bonds (distance) C4'-P energy: -57.785 bonds (distance) P-C4' energy: -60.102 flat angles C4'-P-C4' energy: -48.621 flat angles P-C4'-P energy: -26.127 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -306.434250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.434250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.434250 (E_RNA) where: Base-Base interactions energy: -116.432 where: short stacking energy: -78.960 Base-Backbone interact. energy: -0.814 local terms energy: -189.188828 where: bonds (distance) C4'-P energy: -50.739 bonds (distance) P-C4' energy: -68.129 flat angles C4'-P-C4' energy: -48.268 flat angles P-C4'-P energy: -25.124 tors. eta vs tors. theta energy: 3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1071.498919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.498919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.498919 (E_RNA) where: Base-Base interactions energy: -752.305 where: short stacking energy: -324.406 Base-Backbone interact. energy: 3.635 local terms energy: -322.829048 where: bonds (distance) C4'-P energy: -57.479 bonds (distance) P-C4' energy: -59.545 flat angles C4'-P-C4' energy: -69.692 flat angles P-C4'-P energy: -44.022 tors. eta vs tors. theta energy: -92.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1071.441946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.441946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.441946 (E_RNA) where: Base-Base interactions energy: -742.784 where: short stacking energy: -305.854 Base-Backbone interact. energy: 2.570 local terms energy: -331.227513 where: bonds (distance) C4'-P energy: -59.924 bonds (distance) P-C4' energy: -61.128 flat angles C4'-P-C4' energy: -73.236 flat angles P-C4'-P energy: -46.841 tors. eta vs tors. theta energy: -90.098 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: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -979.283885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.283885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.283885 (E_RNA) where: Base-Base interactions energy: -647.055 where: short stacking energy: -319.963 Base-Backbone interact. energy: -0.664 local terms energy: -331.565094 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -60.771 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -92.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -977.349277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.349277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.349277 (E_RNA) where: Base-Base interactions energy: -670.255 where: short stacking energy: -293.862 Base-Backbone interact. energy: -1.120 local terms energy: -305.974031 where: bonds (distance) C4'-P energy: -55.859 bonds (distance) P-C4' energy: -56.917 flat angles C4'-P-C4' energy: -64.838 flat angles P-C4'-P energy: -44.699 tors. eta vs tors. theta energy: -83.661 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: 4 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -819.556150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.556150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.556150 (E_RNA) where: Base-Base interactions energy: -526.388 where: short stacking energy: -260.010 Base-Backbone interact. energy: -0.410 local terms energy: -292.757944 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -66.523 flat angles C4'-P-C4' energy: -64.936 flat angles P-C4'-P energy: -44.030 tors. eta vs tors. theta energy: -64.010 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: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -809.096651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.096651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.096651 (E_RNA) where: Base-Base interactions energy: -553.812 where: short stacking energy: -231.054 Base-Backbone interact. energy: -0.730 local terms energy: -254.554242 where: bonds (distance) C4'-P energy: -52.857 bonds (distance) P-C4' energy: -58.569 flat angles C4'-P-C4' energy: -62.042 flat angles P-C4'-P energy: -35.453 tors. eta vs tors. theta energy: -45.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -695.774739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.774739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.774739 (E_RNA) where: Base-Base interactions energy: -449.240 where: short stacking energy: -202.483 Base-Backbone interact. energy: -1.982 local terms energy: -244.553106 where: bonds (distance) C4'-P energy: -46.668 bonds (distance) P-C4' energy: -53.507 flat angles C4'-P-C4' energy: -59.495 flat angles P-C4'-P energy: -38.133 tors. eta vs tors. theta energy: -46.751 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: 494 Temperature: 1.250000 Total energy: -505.894567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.894567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.894567 (E_RNA) where: Base-Base interactions energy: -301.614 where: short stacking energy: -139.547 Base-Backbone interact. energy: -0.874 local terms energy: -203.406045 where: bonds (distance) C4'-P energy: -56.164 bonds (distance) P-C4' energy: -63.166 flat angles C4'-P-C4' energy: -37.160 flat angles P-C4'-P energy: -32.785 tors. eta vs tors. theta energy: -14.131 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: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -381.344742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.344742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.344742 (E_RNA) where: Base-Base interactions energy: -184.457 where: short stacking energy: -122.488 Base-Backbone interact. energy: 1.806 local terms energy: -198.693451 where: bonds (distance) C4'-P energy: -62.779 bonds (distance) P-C4' energy: -53.521 flat angles C4'-P-C4' energy: -49.885 flat angles P-C4'-P energy: -22.974 tors. eta vs tors. theta energy: -9.533 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: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -270.518869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.518869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.518869 (E_RNA) where: Base-Base interactions energy: -101.687 where: short stacking energy: -84.144 Base-Backbone interact. energy: -1.269 local terms energy: -167.562690 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -50.463 flat angles C4'-P-C4' energy: -47.089 flat angles P-C4'-P energy: -7.739 tors. eta vs tors. theta energy: -6.155 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: 1, replica: 9 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1072.350080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.350080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.350080 (E_RNA) where: Base-Base interactions energy: -725.567 where: short stacking energy: -311.103 Base-Backbone interact. energy: -1.311 local terms energy: -345.472382 where: bonds (distance) C4'-P energy: -64.828 bonds (distance) P-C4' energy: -65.541 flat angles C4'-P-C4' energy: -79.989 flat angles P-C4'-P energy: -42.154 tors. eta vs tors. theta energy: -92.962 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: 495 Temperature: 0.950000 Total energy: -1035.197238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.197238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.197238 (E_RNA) where: Base-Base interactions energy: -705.748 where: short stacking energy: -304.978 Base-Backbone interact. energy: -1.235 local terms energy: -328.214172 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -71.873 flat angles P-C4'-P energy: -44.166 tors. eta vs tors. theta energy: -93.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -974.163841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.163841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.163841 (E_RNA) where: Base-Base interactions energy: -646.382 where: short stacking energy: -267.127 Base-Backbone interact. energy: -0.269 local terms energy: -327.512327 where: bonds (distance) C4'-P energy: -54.628 bonds (distance) P-C4' energy: -67.073 flat angles C4'-P-C4' energy: -71.802 flat angles P-C4'-P energy: -52.131 tors. eta vs tors. theta energy: -81.877 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: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -933.995134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.995134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.995134 (E_RNA) where: Base-Base interactions energy: -616.396 where: short stacking energy: -280.232 Base-Backbone interact. energy: -1.610 local terms energy: -315.989250 where: bonds (distance) C4'-P energy: -54.743 bonds (distance) P-C4' energy: -62.657 flat angles C4'-P-C4' energy: -72.026 flat angles P-C4'-P energy: -42.286 tors. eta vs tors. theta energy: -84.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -835.802190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.802190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.802190 (E_RNA) where: Base-Base interactions energy: -526.044 where: short stacking energy: -232.492 Base-Backbone interact. energy: -1.728 local terms energy: -308.030490 where: bonds (distance) C4'-P energy: -55.840 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -63.279 flat angles P-C4'-P energy: -50.530 tors. eta vs tors. theta energy: -74.049 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: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -788.339224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.339224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.339224 (E_RNA) where: Base-Base interactions energy: -521.221 where: short stacking energy: -228.596 Base-Backbone interact. energy: -3.185 local terms energy: -263.932893 where: bonds (distance) C4'-P energy: -61.664 bonds (distance) P-C4' energy: -53.655 flat angles C4'-P-C4' energy: -58.668 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: -51.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -699.419217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.419217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.419217 (E_RNA) where: Base-Base interactions energy: -435.770 where: short stacking energy: -200.543 Base-Backbone interact. energy: -0.619 local terms energy: -263.030608 where: bonds (distance) C4'-P energy: -57.775 bonds (distance) P-C4' energy: -61.818 flat angles C4'-P-C4' energy: -49.095 flat angles P-C4'-P energy: -43.259 tors. eta vs tors. theta energy: -51.084 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: 8, replica: 8 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -511.825357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.825357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.825357 (E_RNA) where: Base-Base interactions energy: -292.261 where: short stacking energy: -139.507 Base-Backbone interact. energy: -1.328 local terms energy: -218.236956 where: bonds (distance) C4'-P energy: -57.225 bonds (distance) P-C4' energy: -56.257 flat angles C4'-P-C4' energy: -56.558 flat angles P-C4'-P energy: -31.674 tors. eta vs tors. theta energy: -16.523 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: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -366.824463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.824463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.824463 (E_RNA) where: Base-Base interactions energy: -191.396 where: short stacking energy: -126.922 Base-Backbone interact. energy: -1.182 local terms energy: -174.246189 where: bonds (distance) C4'-P energy: -43.414 bonds (distance) P-C4' energy: -52.511 flat angles C4'-P-C4' energy: -35.373 flat angles P-C4'-P energy: -32.624 tors. eta vs tors. theta energy: -10.323 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: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -286.799895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.799895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.799895 (E_RNA) where: Base-Base interactions energy: -103.603 where: short stacking energy: -68.591 Base-Backbone interact. energy: 0.042 local terms energy: -183.239315 where: bonds (distance) C4'-P energy: -58.810 bonds (distance) P-C4' energy: -59.107 flat angles C4'-P-C4' energy: -42.010 flat angles P-C4'-P energy: -33.885 tors. eta vs tors. theta energy: 10.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1074.634336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.634336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.634336 (E_RNA) where: Base-Base interactions energy: -735.834 where: short stacking energy: -313.760 Base-Backbone interact. energy: -1.384 local terms energy: -337.415865 where: bonds (distance) C4'-P energy: -59.101 bonds (distance) P-C4' energy: -68.573 flat angles C4'-P-C4' energy: -68.454 flat angles P-C4'-P energy: -52.516 tors. eta vs tors. theta energy: -88.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1074.710752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.710752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.710752 (E_RNA) where: Base-Base interactions energy: -738.227 where: short stacking energy: -316.815 Base-Backbone interact. energy: -0.645 local terms energy: -335.838698 where: bonds (distance) C4'-P energy: -62.769 bonds (distance) P-C4' energy: -68.044 flat angles C4'-P-C4' energy: -61.664 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -91.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -989.383048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.383048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.383048 (E_RNA) where: Base-Base interactions energy: -668.337 where: short stacking energy: -292.284 Base-Backbone interact. energy: -0.023 local terms energy: -321.023409 where: bonds (distance) C4'-P energy: -52.096 bonds (distance) P-C4' energy: -74.637 flat angles C4'-P-C4' energy: -70.568 flat angles P-C4'-P energy: -39.964 tors. eta vs tors. theta energy: -83.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -941.492571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.492571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.492571 (E_RNA) where: Base-Base interactions energy: -638.164 where: short stacking energy: -280.568 Base-Backbone interact. energy: -2.755 local terms energy: -300.573276 where: bonds (distance) C4'-P energy: -53.097 bonds (distance) P-C4' energy: -62.893 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -37.334 tors. eta vs tors. theta energy: -78.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -799.404452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.404452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.404452 (E_RNA) where: Base-Base interactions energy: -512.376 where: short stacking energy: -251.026 Base-Backbone interact. energy: 0.354 local terms energy: -287.383205 where: bonds (distance) C4'-P energy: -52.923 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -60.299 flat angles P-C4'-P energy: -48.582 tors. eta vs tors. theta energy: -65.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -814.074111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.074111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.074111 (E_RNA) where: Base-Base interactions energy: -558.493 where: short stacking energy: -227.089 Base-Backbone interact. energy: -1.000 local terms energy: -254.581114 where: bonds (distance) C4'-P energy: -52.153 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -40.155 flat angles P-C4'-P energy: -40.281 tors. eta vs tors. theta energy: -54.554 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: 496 Temperature: 1.200000 Total energy: -735.819511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.819511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.819511 (E_RNA) where: Base-Base interactions energy: -453.696 where: short stacking energy: -200.159 Base-Backbone interact. energy: -0.887 local terms energy: -281.236094 where: bonds (distance) C4'-P energy: -59.657 bonds (distance) P-C4' energy: -72.770 flat angles C4'-P-C4' energy: -55.157 flat angles P-C4'-P energy: -43.817 tors. eta vs tors. theta energy: -49.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -522.502930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.502930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.502930 (E_RNA) where: Base-Base interactions energy: -297.694 where: short stacking energy: -141.643 Base-Backbone interact. energy: 2.050 local terms energy: -226.858809 where: bonds (distance) C4'-P energy: -52.138 bonds (distance) P-C4' energy: -57.747 flat angles C4'-P-C4' energy: -62.123 flat angles P-C4'-P energy: -28.357 tors. eta vs tors. theta energy: -26.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -307.112660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.112660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.112660 (E_RNA) where: Base-Base interactions energy: -103.550 where: short stacking energy: -85.948 Base-Backbone interact. energy: -1.440 local terms energy: -202.122356 where: bonds (distance) C4'-P energy: -58.363 bonds (distance) P-C4' energy: -56.122 flat angles C4'-P-C4' energy: -63.508 flat angles P-C4'-P energy: -32.598 tors. eta vs tors. theta energy: 8.468 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: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -280.340739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.340739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.340739 (E_RNA) where: Base-Base interactions energy: -107.323 where: short stacking energy: -86.692 Base-Backbone interact. energy: -0.282 local terms energy: -172.735873 where: bonds (distance) C4'-P energy: -47.334 bonds (distance) P-C4' energy: -66.557 flat angles C4'-P-C4' energy: -49.465 flat angles P-C4'-P energy: -12.441 tors. eta vs tors. theta energy: 3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1081.475485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.475485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.475485 (E_RNA) where: Base-Base interactions energy: -745.314 where: short stacking energy: -313.752 Base-Backbone interact. energy: 3.918 local terms energy: -340.079750 where: bonds (distance) C4'-P energy: -68.949 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -89.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1049.950642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.950642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.950642 (E_RNA) where: Base-Base interactions energy: -709.995 where: short stacking energy: -308.215 Base-Backbone interact. energy: -1.801 local terms energy: -338.154679 where: bonds (distance) C4'-P energy: -60.171 bonds (distance) P-C4' energy: -60.136 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -93.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -972.839458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.839458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.839458 (E_RNA) where: Base-Base interactions energy: -656.898 where: short stacking energy: -289.806 Base-Backbone interact. energy: -0.777 local terms energy: -315.164678 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -33.100 tors. eta vs tors. theta energy: -90.441 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: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -961.262210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.262210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.262210 (E_RNA) where: Base-Base interactions energy: -655.111 where: short stacking energy: -291.607 Base-Backbone interact. energy: -2.312 local terms energy: -303.839507 where: bonds (distance) C4'-P energy: -59.018 bonds (distance) P-C4' energy: -68.090 flat angles C4'-P-C4' energy: -62.047 flat angles P-C4'-P energy: -26.985 tors. eta vs tors. theta energy: -87.699 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: 4 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -826.507636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.507636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.507636 (E_RNA) where: Base-Base interactions energy: -532.997 where: short stacking energy: -252.726 Base-Backbone interact. energy: 2.143 local terms energy: -295.653963 where: bonds (distance) C4'-P energy: -53.979 bonds (distance) P-C4' energy: -61.372 flat angles C4'-P-C4' energy: -67.793 flat angles P-C4'-P energy: -51.891 tors. eta vs tors. theta energy: -60.619 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: 2 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -833.118703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.118703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.118703 (E_RNA) where: Base-Base interactions energy: -569.572 where: short stacking energy: -240.192 Base-Backbone interact. energy: 1.155 local terms energy: -264.701598 where: bonds (distance) C4'-P energy: -49.218 bonds (distance) P-C4' energy: -50.990 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -34.813 tors. eta vs tors. theta energy: -65.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -706.019222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.019222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.019222 (E_RNA) where: Base-Base interactions energy: -448.157 where: short stacking energy: -207.363 Base-Backbone interact. energy: 2.074 local terms energy: -259.936661 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -63.355 flat angles P-C4'-P energy: -33.275 tors. eta vs tors. theta energy: -45.197 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: 8 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -517.283894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.283894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.283894 (E_RNA) where: Base-Base interactions energy: -305.943 where: short stacking energy: -147.247 Base-Backbone interact. energy: -0.805 local terms energy: -210.535891 where: bonds (distance) C4'-P energy: -36.815 bonds (distance) P-C4' energy: -64.057 flat angles C4'-P-C4' energy: -48.588 flat angles P-C4'-P energy: -37.552 tors. eta vs tors. theta energy: -23.525 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: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -300.774144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.774144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.774144 (E_RNA) where: Base-Base interactions energy: -107.201 where: short stacking energy: -89.140 Base-Backbone interact. energy: 0.688 local terms energy: -194.261202 where: bonds (distance) C4'-P energy: -63.424 bonds (distance) P-C4' energy: -52.029 flat angles C4'-P-C4' energy: -53.163 flat angles P-C4'-P energy: -24.882 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -257.340842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.340842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.340842 (E_RNA) where: Base-Base interactions energy: -93.454 where: short stacking energy: -79.756 Base-Backbone interact. energy: 1.716 local terms energy: -165.602878 where: bonds (distance) C4'-P energy: -51.241 bonds (distance) P-C4' energy: -49.444 flat angles C4'-P-C4' energy: -37.599 flat angles P-C4'-P energy: -38.743 tors. eta vs tors. theta energy: 11.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1081.475341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.475341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.475341 (E_RNA) where: Base-Base interactions energy: -742.027 where: short stacking energy: -320.442 Base-Backbone interact. energy: -1.580 local terms energy: -337.868666 where: bonds (distance) C4'-P energy: -69.973 bonds (distance) P-C4' energy: -61.725 flat angles C4'-P-C4' energy: -75.117 flat angles P-C4'-P energy: -38.733 tors. eta vs tors. theta energy: -92.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1039.450391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.450391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.450391 (E_RNA) where: Base-Base interactions energy: -730.471 where: short stacking energy: -307.600 Base-Backbone interact. energy: -2.363 local terms energy: -306.617241 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -52.796 flat angles C4'-P-C4' energy: -57.141 flat angles P-C4'-P energy: -46.180 tors. eta vs tors. theta energy: -89.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -975.284071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.284071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.284071 (E_RNA) where: Base-Base interactions energy: -650.929 where: short stacking energy: -284.025 Base-Backbone interact. energy: -0.998 local terms energy: -323.357037 where: bonds (distance) C4'-P energy: -60.101 bonds (distance) P-C4' energy: -67.763 flat angles C4'-P-C4' energy: -70.538 flat angles P-C4'-P energy: -43.009 tors. eta vs tors. theta energy: -81.946 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: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -985.277044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.277044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.277044 (E_RNA) where: Base-Base interactions energy: -668.821 where: short stacking energy: -289.147 Base-Backbone interact. energy: 0.158 local terms energy: -316.614045 where: bonds (distance) C4'-P energy: -59.450 bonds (distance) P-C4' energy: -67.767 flat angles C4'-P-C4' energy: -59.407 flat angles P-C4'-P energy: -46.826 tors. eta vs tors. theta energy: -83.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -848.943669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.943669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.943669 (E_RNA) where: Base-Base interactions energy: -563.184 where: short stacking energy: -241.343 Base-Backbone interact. energy: -1.526 local terms energy: -284.233802 where: bonds (distance) C4'-P energy: -56.965 bonds (distance) P-C4' energy: -67.430 flat angles C4'-P-C4' energy: -64.977 flat angles P-C4'-P energy: -40.208 tors. eta vs tors. theta energy: -54.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -790.634232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.634232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.634232 (E_RNA) where: Base-Base interactions energy: -515.048 where: short stacking energy: -251.025 Base-Backbone interact. energy: -0.330 local terms energy: -275.256176 where: bonds (distance) C4'-P energy: -57.020 bonds (distance) P-C4' energy: -57.202 flat angles C4'-P-C4' energy: -52.679 flat angles P-C4'-P energy: -42.089 tors. eta vs tors. theta energy: -66.266 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: 7, replica: 1 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -695.842216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.842216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.842216 (E_RNA) where: Base-Base interactions energy: -453.039 where: short stacking energy: -201.580 Base-Backbone interact. energy: -0.158 local terms energy: -242.645401 where: bonds (distance) C4'-P energy: -56.648 bonds (distance) P-C4' energy: -55.839 flat angles C4'-P-C4' energy: -51.995 flat angles P-C4'-P energy: -39.073 tors. eta vs tors. theta energy: -39.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -539.429552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.429552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.429552 (E_RNA) where: Base-Base interactions energy: -302.903 where: short stacking energy: -158.538 Base-Backbone interact. energy: -1.192 local terms energy: -235.334492 where: bonds (distance) C4'-P energy: -48.179 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -63.407 flat angles P-C4'-P energy: -28.043 tors. eta vs tors. theta energy: -29.392 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: 7 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -295.550768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.550768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.550768 (E_RNA) where: Base-Base interactions energy: -116.730 where: short stacking energy: -83.247 Base-Backbone interact. energy: 1.918 local terms energy: -180.737964 where: bonds (distance) C4'-P energy: -55.420 bonds (distance) P-C4' energy: -56.764 flat angles C4'-P-C4' energy: -45.249 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: 12.669 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: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -291.872472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.872472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.872472 (E_RNA) where: Base-Base interactions energy: -105.301 where: short stacking energy: -98.587 Base-Backbone interact. energy: -0.750 local terms energy: -185.821486 where: bonds (distance) C4'-P energy: -52.228 bonds (distance) P-C4' energy: -51.221 flat angles C4'-P-C4' energy: -52.745 flat angles P-C4'-P energy: -28.786 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1079.683467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.683467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.683467 (E_RNA) where: Base-Base interactions energy: -747.538 where: short stacking energy: -318.250 Base-Backbone interact. energy: -3.229 local terms energy: -328.916775 where: bonds (distance) C4'-P energy: -61.183 bonds (distance) P-C4' energy: -61.735 flat angles C4'-P-C4' energy: -74.539 flat angles P-C4'-P energy: -46.274 tors. eta vs tors. theta energy: -85.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1066.616691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.616691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.616691 (E_RNA) where: Base-Base interactions energy: -738.597 where: short stacking energy: -316.459 Base-Backbone interact. energy: -0.027 local terms energy: -327.992403 where: bonds (distance) C4'-P energy: -46.409 bonds (distance) P-C4' energy: -67.552 flat angles C4'-P-C4' energy: -74.928 flat angles P-C4'-P energy: -48.011 tors. eta vs tors. theta energy: -91.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -965.118327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.118327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.118327 (E_RNA) where: Base-Base interactions energy: -664.150 where: short stacking energy: -288.725 Base-Backbone interact. energy: -0.134 local terms energy: -300.833866 where: bonds (distance) C4'-P energy: -56.595 bonds (distance) P-C4' energy: -53.919 flat angles C4'-P-C4' energy: -60.014 flat angles P-C4'-P energy: -49.630 tors. eta vs tors. theta energy: -80.676 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: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -931.672872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.672872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.672872 (E_RNA) where: Base-Base interactions energy: -626.028 where: short stacking energy: -287.631 Base-Backbone interact. energy: -0.586 local terms energy: -305.058244 where: bonds (distance) C4'-P energy: -53.894 bonds (distance) P-C4' energy: -59.491 flat angles C4'-P-C4' energy: -61.161 flat angles P-C4'-P energy: -48.326 tors. eta vs tors. theta energy: -82.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -903.729757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.729757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.729757 (E_RNA) where: Base-Base interactions energy: -621.698 where: short stacking energy: -262.024 Base-Backbone interact. energy: -2.660 local terms energy: -279.371615 where: bonds (distance) C4'-P energy: -53.298 bonds (distance) P-C4' energy: -51.521 flat angles C4'-P-C4' energy: -63.098 flat angles P-C4'-P energy: -41.979 tors. eta vs tors. theta energy: -69.476 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: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -756.913792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.913792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.913792 (E_RNA) where: Base-Base interactions energy: -492.433 where: short stacking energy: -221.613 Base-Backbone interact. energy: -0.820 local terms energy: -263.660110 where: bonds (distance) C4'-P energy: -53.072 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -61.437 flat angles P-C4'-P energy: -42.855 tors. eta vs tors. theta energy: -49.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -745.516688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.516688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.516688 (E_RNA) where: Base-Base interactions energy: -463.209 where: short stacking energy: -210.599 Base-Backbone interact. energy: 3.902 local terms energy: -286.209911 where: bonds (distance) C4'-P energy: -61.028 bonds (distance) P-C4' energy: -58.813 flat angles C4'-P-C4' energy: -61.595 flat angles P-C4'-P energy: -38.894 tors. eta vs tors. theta energy: -65.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -547.883377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.883377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.883377 (E_RNA) where: Base-Base interactions energy: -336.515 where: short stacking energy: -155.784 Base-Backbone interact. energy: -3.104 local terms energy: -208.264267 where: bonds (distance) C4'-P energy: -52.514 bonds (distance) P-C4' energy: -47.585 flat angles C4'-P-C4' energy: -51.804 flat angles P-C4'-P energy: -33.764 tors. eta vs tors. theta energy: -22.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -270.516351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.516351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.516351 (E_RNA) where: Base-Base interactions energy: -91.915 where: short stacking energy: -72.930 Base-Backbone interact. energy: 3.865 local terms energy: -182.465904 where: bonds (distance) C4'-P energy: -55.592 bonds (distance) P-C4' energy: -51.850 flat angles C4'-P-C4' energy: -55.501 flat angles P-C4'-P energy: -34.002 tors. eta vs tors. theta energy: 14.479 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: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -269.638210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.638210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.638210 (E_RNA) where: Base-Base interactions energy: -85.673 where: short stacking energy: -86.085 Base-Backbone interact. energy: -1.174 local terms energy: -182.791026 where: bonds (distance) C4'-P energy: -58.881 bonds (distance) P-C4' energy: -53.073 flat angles C4'-P-C4' energy: -49.364 flat angles P-C4'-P energy: -21.622 tors. eta vs tors. theta energy: 0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1094.011532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.011532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.011532 (E_RNA) where: Base-Base interactions energy: -761.154 where: short stacking energy: -335.670 Base-Backbone interact. energy: 1.473 local terms energy: -334.330025 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -64.901 flat angles C4'-P-C4' energy: -73.048 flat angles P-C4'-P energy: -47.602 tors. eta vs tors. theta energy: -96.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1062.328968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.328968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.328968 (E_RNA) where: Base-Base interactions energy: -725.091 where: short stacking energy: -300.885 Base-Backbone interact. energy: -0.332 local terms energy: -336.905377 where: bonds (distance) C4'-P energy: -60.394 bonds (distance) P-C4' energy: -65.971 flat angles C4'-P-C4' energy: -73.319 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: -88.271 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: 500 Temperature: 1.000000 Total energy: -962.994896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.994896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.994896 (E_RNA) where: Base-Base interactions energy: -641.998 where: short stacking energy: -297.409 Base-Backbone interact. energy: -2.061 local terms energy: -318.935794 where: bonds (distance) C4'-P energy: -57.555 bonds (distance) P-C4' energy: -62.159 flat angles C4'-P-C4' energy: -69.391 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -84.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -944.286046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.286046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.286046 (E_RNA) where: Base-Base interactions energy: -642.842 where: short stacking energy: -272.019 Base-Backbone interact. energy: 2.827 local terms energy: -304.271307 where: bonds (distance) C4'-P energy: -52.672 bonds (distance) P-C4' energy: -58.679 flat angles C4'-P-C4' energy: -61.940 flat angles P-C4'-P energy: -43.089 tors. eta vs tors. theta energy: -87.892 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: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -899.118374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.118374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.118374 (E_RNA) where: Base-Base interactions energy: -602.362 where: short stacking energy: -251.343 Base-Backbone interact. energy: -2.139 local terms energy: -294.617150 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -63.905 flat angles C4'-P-C4' energy: -61.781 flat angles P-C4'-P energy: -35.746 tors. eta vs tors. theta energy: -66.697 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: 4 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -764.004230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.004230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.004230 (E_RNA) where: Base-Base interactions energy: -511.822 where: short stacking energy: -238.488 Base-Backbone interact. energy: -0.624 local terms energy: -251.557801 where: bonds (distance) C4'-P energy: -48.247 bonds (distance) P-C4' energy: -60.364 flat angles C4'-P-C4' energy: -50.449 flat angles P-C4'-P energy: -35.104 tors. eta vs tors. theta energy: -57.394 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: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -693.454669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.454669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.454669 (E_RNA) where: Base-Base interactions energy: -431.526 where: short stacking energy: -191.142 Base-Backbone interact. energy: 0.525 local terms energy: -262.453668 where: bonds (distance) C4'-P energy: -48.361 bonds (distance) P-C4' energy: -61.780 flat angles C4'-P-C4' energy: -55.058 flat angles P-C4'-P energy: -43.526 tors. eta vs tors. theta energy: -53.729 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: 8, replica: 8 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -561.370746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.370746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.370746 (E_RNA) where: Base-Base interactions energy: -349.881 where: short stacking energy: -187.149 Base-Backbone interact. energy: -0.305 local terms energy: -211.184384 where: bonds (distance) C4'-P energy: -53.655 bonds (distance) P-C4' energy: -41.501 flat angles C4'-P-C4' energy: -54.564 flat angles P-C4'-P energy: -26.829 tors. eta vs tors. theta energy: -34.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -324.983140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.983140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.983140 (E_RNA) where: Base-Base interactions energy: -137.751 where: short stacking energy: -103.658 Base-Backbone interact. energy: 6.074 local terms energy: -193.306493 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -52.985 flat angles C4'-P-C4' energy: -48.059 flat angles P-C4'-P energy: -28.341 tors. eta vs tors. theta energy: 4.564 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: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -276.549257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.549257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.549257 (E_RNA) where: Base-Base interactions energy: -90.586 where: short stacking energy: -82.449 Base-Backbone interact. energy: -0.460 local terms energy: -185.502381 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -44.045 flat angles C4'-P-C4' energy: -58.729 flat angles P-C4'-P energy: -26.354 tors. eta vs tors. theta energy: -0.179 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) out arg RESULTS//1/linc-2debb2f6_01 DONE DONE DONE DONE DONE DONE DONE DONE